N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide

C13H19N3O — CID 139013357

IUPACN-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CCC[C@H]2CN)n1
InChIInChI=1S/C13H19N3O/c1-9-4-2-7-12(15-9)13(17)16-11-6-3-5-10(11)8-14/h2,4,7,10-11H,3,5-6,8,14H2,1H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyIMBAFESMRRLGNR-WDEREUQCSA-N
MW233.31 g/mol
LogP1.25
Rot. Bonds3

About N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide

N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide (PubChem CID 139013357) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
PubChem CID139013357
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CCC[C@H]2CN)n1
InChIInChI=1S/C13H19N3O/c1-9-4-2-7-12(15-9)13(17)16-11-6-3-5-10(11)8-14/h2,4,7,10-11H,3,5-6,8,14H2,1H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyIMBAFESMRRLGNR-WDEREUQCSA-N
XLogP1.25
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide
CID 106366592
6-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyridine-2-carboxamide
CID 31825212
N-[2-(aminomethyl)cyclopentyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 119602877
N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
CID 119600664
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
6-amino-N-(2-ethylcyclohexyl)pyridine-2-carboxamide;hydrochloride
CID 119999021
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 119611558
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119612506

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide (CID 139013357) is N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2CN)n1.
What is the InChIKey of N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide?
The InChIKey is IMBAFESMRRLGNR-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-2-7-12(15-9)13(17)16-11-6-3-5-10(11)8-14/h2,4,7,10-11H,3,5-6,8,14H2,1H3,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide?
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 139013357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).