2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide

C21H25N3O2S — CID 55872571

IUPAC2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2cccnc2SC2CCCC2)c1
InChIInChI=1S/C21H25N3O2S/c1-3-19(25)23-15-11-10-14(2)18(13-15)24-20(26)17-9-6-12-22-21(17)27-16-7-4-5-8-16/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHAVYFKCADSKHTE-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.03
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide (PubChem CID 55872571) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
PubChem CID55872571
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2cccnc2SC2CCCC2)c1
InChIInChI=1S/C21H25N3O2S/c1-3-19(25)23-15-11-10-14(2)18(13-15)24-20(26)17-9-6-12-22-21(17)27-16-7-4-5-8-16/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHAVYFKCADSKHTE-UHFFFAOYSA-N
XLogP5.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-N-(3-propoxyphenyl)pyridine-3-carboxamide
CID 55873414
2-cyclopentylsulfanyl-N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]pyridine-3-carboxamide
CID 55874183
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55872578
2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 55876154
2-(4-bromophenyl)sulfanyl-N-[2-chloro-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55799391
2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 55953413
2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55875231
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 75416019
2-cyclopentylsulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 56556209
N-(5-bromo-2-pyridinyl)-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55874481
N-cyclohexyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54846165
2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1H-pyrrole-3-carboxamide
CID 131914713

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide (CID 55872571) is 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)c2cccnc2SC2CCCC2)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide?
The InChIKey is HAVYFKCADSKHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-3-19(25)23-15-11-10-14(2)18(13-15)24-20(26)17-9-6-12-22-21(17)27-16-7-4-5-8-16/h6,9-13,16H,3-5,7-8H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55872571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).