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

C17H21N3OS — CID 119600903

IUPACN-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccsc2)ccc1C(=O)NC1CCCC1CN
InChIInChI=1S/C17H21N3OS/c1-11-14(5-6-16(19-11)13-7-8-22-10-13)17(21)20-15-4-2-3-12(15)9-18/h5-8,10,12,15H,2-4,9,18H2,1H3,(H,20,21)
InChIKeyKBSFAGMZCAJDTJ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.98
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 119600903) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
PubChem CID119600903
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
SMILESCc1nc(-c2ccsc2)ccc1C(=O)NC1CCCC1CN
InChIInChI=1S/C17H21N3OS/c1-11-14(5-6-16(19-11)13-7-8-22-10-13)17(21)20-15-4-2-3-12(15)9-18/h5-8,10,12,15H,2-4,9,18H2,1H3,(H,20,21)
InChIKeyKBSFAGMZCAJDTJ-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119609453
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
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride
CID 120598765
N-[2-(hydroxymethyl)cyclopentyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103774105
2-methyl-N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 99122200
N-[2-(hydroxymethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 103751569
3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]thiolane-3-carboxylic acid
CID 120531439
N-[2-(bromomethyl)cyclopentyl]-2,6-dimethylpyridine-3-carboxamide
CID 114179479
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[2-(aminomethyl)cyclopentyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 119600746

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide (CID 119600903) is N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide is Cc1nc(-c2ccsc2)ccc1C(=O)NC1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is KBSFAGMZCAJDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-14(5-6-16(19-11)13-7-8-22-10-13)17(21)20-15-4-2-3-12(15)9-18/h5-8,10,12,15H,2-4,9,18H2,1H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 119600903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).