2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C21H22N4OS — CID 55884002

IUPAC2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cccnc1SC1CCCC1
InChIInChI=1S/C21H22N4OS/c26-20(19-11-6-12-22-21(19)27-18-9-4-5-10-18)23-13-16-14-24-25(15-16)17-7-2-1-3-8-17/h1-3,6-8,11-12,14-15,18H,4-5,9-10,13H2,(H,23,26)
InChIKeySKOXICMWVDSVCJ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.23
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 55884002) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID55884002
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cccnc1SC1CCCC1
InChIInChI=1S/C21H22N4OS/c26-20(19-11-6-12-22-21(19)27-18-9-4-5-10-18)23-13-16-14-24-25(15-16)17-7-2-1-3-8-17/h1-3,6-8,11-12,14-15,18H,4-5,9-10,13H2,(H,23,26)
InChIKeySKOXICMWVDSVCJ-UHFFFAOYSA-N
XLogP4.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentylsulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 56518163
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55977297
2-cyclopentylsulfanyl-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 55953413
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
2-cyclopentylsulfanyl-N-(2-phenylcyclopropyl)pyridine-3-carboxamide
CID 47734673
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47029191
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55813462
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
2-cyclopentylsulfanyl-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-3-carboxamide
CID 94647153
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 55884002) is 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)c1cccnc1SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SKOXICMWVDSVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-20(19-11-6-12-22-21(19)27-18-9-4-5-10-18)23-13-16-14-24-25(15-16)17-7-2-1-3-8-17/h1-3,6-8,11-12,14-15,18H,4-5,9-10,13H2,(H,23,26).
What are the key properties of 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55884002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).