N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride

C14H22ClN3O2 — CID 119612413

IUPACN-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCCCC2CN)c(=O)[nH]1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-6-7-11(13(18)16-9)14(19)17-12-5-3-2-4-10(12)8-15;/h6-7,10,12H,2-5,8,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyRJWQYEOBFJCNGE-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.35
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119612413) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119612413
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)NC2CCCCC2CN)c(=O)[nH]1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9-6-7-11(13(18)16-9)14(19)17-12-5-3-2-4-10(12)8-15;/h6-7,10,12H,2-5,8,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyRJWQYEOBFJCNGE-UHFFFAOYSA-N
XLogP1.35
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976773
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 100845910
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119610704
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119609453
N-[2-(aminomethyl)cyclohexyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 119612531
N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 107725193

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119612413) is N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride is Cc1ccc(C(=O)NC2CCCCC2CN)c(=O)[nH]1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is RJWQYEOBFJCNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-9-6-7-11(13(18)16-9)14(19)17-12-5-3-2-4-10(12)8-15;/h6-7,10,12H,2-5,8,15H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119612413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).