2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide

C20H22N2OS — CID 47734673

IUPAC2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide
SMILESO=C(NC1CC1c1ccccc1)c1cccnc1SC1CCCC1
InChIInChI=1S/C20H22N2OS/c23-19(22-18-13-17(18)14-7-2-1-3-8-14)16-11-6-12-21-20(16)24-15-9-4-5-10-15/h1-3,6-8,11-12,15,17-18H,4-5,9-10,13H2,(H,22,23)
InChIKeyHOVQLHSATVNTIG-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.40
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide (PubChem CID 47734673) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide
PubChem CID47734673
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide
SMILESO=C(NC1CC1c1ccccc1)c1cccnc1SC1CCCC1
InChIInChI=1S/C20H22N2OS/c23-19(22-18-13-17(18)14-7-2-1-3-8-14)16-11-6-12-21-20(16)24-15-9-4-5-10-15/h1-3,6-8,11-12,15,17-18H,4-5,9-10,13H2,(H,22,23)
InChIKeyHOVQLHSATVNTIG-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-hydroxy-N-(2-phenylcyclopropyl)quinoline-7-carboxamide
CID 20816868
N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55874481
2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 56518163
2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 55884002
2-cyclopentylsulfanyl-N'-[2-(trifluoromethyl)phenyl]pyridine-3-carbohydrazide
CID 55884147
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 75416019
2-cyclobutyloxy-N-(2-phenylcyclopropyl)benzamide
CID 86970728
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
(2-cyclopentylsulfanyl-3-pyridinyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 51966370
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55977297
2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55875231
2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 55876154

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide (CID 47734673) is 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide is O=C(NC1CC1c1ccccc1)c1cccnc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide?
The InChIKey is HOVQLHSATVNTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-19(22-18-13-17(18)14-7-2-1-3-8-14)16-11-6-12-21-20(16)24-15-9-4-5-10-15/h1-3,6-8,11-12,15,17-18H,4-5,9-10,13H2,(H,22,23).
What are the key properties of 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide is sourced from PubChem (CID 47734673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).