N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide

C18H23N3OS — CID 119609453

IUPACN-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccsc2)ccc1C(=O)NC1CCCCC1CN
InChIInChI=1S/C18H23N3OS/c1-12-15(6-7-17(20-12)14-8-9-23-11-14)18(22)21-16-5-3-2-4-13(16)10-19/h6-9,11,13,16H,2-5,10,19H2,1H3,(H,21,22)
InChIKeyDCZQCHZNRUSVID-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.37
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 119609453) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID119609453
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccsc2)ccc1C(=O)NC1CCCCC1CN
InChIInChI=1S/C18H23N3OS/c1-12-15(6-7-17(20-12)14-8-9-23-11-14)18(22)21-16-5-3-2-4-13(16)10-19/h6-9,11,13,16H,2-5,10,19H2,1H3,(H,21,22)
InChIKeyDCZQCHZNRUSVID-UHFFFAOYSA-N
XLogP3.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119600903
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119610704
cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678974
2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride
CID 120598765
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
2-methyl-N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 99122200
N-[2-(aminomethyl)cyclohexyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119612413
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103774105
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-6-phenylpyridine-3-carboxamide
CID 31847366
N-[2-(hydroxymethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 103751569
(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 120537434

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide (CID 119609453) is N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide is Cc1nc(-c2ccsc2)ccc1C(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is DCZQCHZNRUSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-15(6-7-17(20-12)14-8-9-23-11-14)18(22)21-16-5-3-2-4-13(16)10-19/h6-9,11,13,16H,2-5,10,19H2,1H3,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 119609453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).