Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amide , CAS No.153872-62-9

CAS: 153872-62-9 Cat. No.: A668316 Molecular Weight: 270.37
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Synonyms
Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amide | N-(pyridin-3-ylmethyl)adamantane-1-carboxamide | Oprea1_093619 | Oprea1_835211 | MLS001163792 | SIOCWTZRIYXTEE-UHFFFAOYSA-N | DTXSID401330709 | HMS2853A07 | BDBM50052665 | STL196570 | AKOS000596049
Storage
Room temperature
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1mg
A668316-1mg
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$571.90

$999.90
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5mg
A668316-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amide | N-(pyridin-3-ylmethyl)adamantane-1-carboxamide | Oprea1_093619 | Oprea1_835211 | MLS001163792 | SIOCWTZRIYXTEE-UHFFFAOYSA-N | DTXSID401330709 | HMS2853A07 | BDBM50052665 | STL196570 | AKOS000596049
Storage
Room temperature
Product Properties
ALogP2.5
Names and Identifiers
Canonical SmilesC1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CN=CC=C4
IUPAC NameN-(pyridin-3-ylmethyl)adamantane-1-carboxamide
InChIKeySIOCWTZRIYXTEE-UHFFFAOYSA-N
INCHI1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)
Isomeric SMILES C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CN=CC=C4
Molecular Weight 270.37
Reaxy-Rn 7589745
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7589745&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyridines and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyridines and derivatives
Alternative Parents Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (2224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP17A1 Tclin Cytochrome P450 17A1 (3627 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight270.370 g/mol
XLogP32.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass270.173 Da
Monoisotopic Mass270.173 Da
Topological Polar Surface Area42.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity351.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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