N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide

C19H22N2OS — CID 55873145

IUPACN-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2SC2CCCC2)c(C)n1
InChIInChI=1S/C19H22N2OS/c1-13-11-12-16(14(2)20-13)19(22)21-17-9-5-6-10-18(17)23-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyFUYYVIBWQPFZTM-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.99
Rot. Bonds4

About N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide

N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 55873145) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID55873145
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccccc2SC2CCCC2)c(C)n1
InChIInChI=1S/C19H22N2OS/c1-13-11-12-16(14(2)20-13)19(22)21-17-9-5-6-10-18(17)23-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyFUYYVIBWQPFZTM-UHFFFAOYSA-N
XLogP4.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide
CID 55870685
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
N-(2-cyclopentylsulfanylphenyl)-2-methylsulfanylpropanamide
CID 47327417
N-(2-cyclopentylsulfanylphenyl)-2-(propan-2-ylamino)acetamide
CID 60843241
N-(2-cyclopentylsulfanylphenyl)pyridine-3-carboxamide
CID 31915721
N-(2-cyclopentylsulfanylphenyl)-5-fluoro-2-methoxybenzamide
CID 55615222
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
N-(2-cyclopentylsulfanylphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60553080
N-(2-cyclopentylsulfanylphenyl)-1,3-benzodioxole-4-carboxamide
CID 55912817
N-(2-cyclopentylsulfanylphenyl)-2-(methylamino)propanamide
CID 55096699
N-(2-cyclopentylsulfanylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835848
N-(2-cyclopentylsulfanylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 32560857

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide (CID 55873145) is N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccccc2SC2CCCC2)c(C)n1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is FUYYVIBWQPFZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13-11-12-16(14(2)20-13)19(22)21-17-9-5-6-10-18(17)23-15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,22).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 326.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 55873145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).