3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide

C21H27N3O3S — CID 25291228

IUPAC3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cccs2)c1=O
InChIInChI=1S/C21H27N3O3S/c1-3-14(2)23-21(27)18-13-24(15-7-4-5-8-15)12-17(19(18)25)20(26)22-11-16-9-6-10-28-16/h6,9-10,12-15H,3-5,7-8,11H2,1-2H3,(H,22,26)(H,23,27)/t14-/m0/s1
InChIKeyHDSUYDVDKYQPOD-AWEZNQCLSA-N
MW401.53 g/mol
LogP3.48
Rot. Bonds7

About 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 25291228) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID25291228
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cccs2)c1=O
InChIInChI=1S/C21H27N3O3S/c1-3-14(2)23-21(27)18-13-24(15-7-4-5-8-15)12-17(19(18)25)20(26)22-11-16-9-6-10-28-16/h6,9-10,12-15H,3-5,7-8,11H2,1-2H3,(H,22,26)(H,23,27)/t14-/m0/s1
InChIKeyHDSUYDVDKYQPOD-AWEZNQCLSA-N
XLogP3.48
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide with MolForge

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Related Compounds

5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42499673
1-cyclohexyl-5-N-methyl-4-oxo-3-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3,5-dicarboxamide
CID 25292980
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25364959
1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 45232910
N-[(2R)-butan-2-yl]-4-[3-(thiophen-2-ylmethylcarbamoyl)-2-pyridinyl]piperazine-1-carboxamide
CID 92760411
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42163607
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26399691
5-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(3-methoxyphenyl)methyl]-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42378176

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 25291228) is 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide is CC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2cccs2)c1=O.
What is the InChIKey of 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is HDSUYDVDKYQPOD-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-3-14(2)23-21(27)18-13-24(15-7-4-5-8-15)12-17(19(18)25)20(26)22-11-16-9-6-10-28-16/h6,9-10,12-15H,3-5,7-8,11H2,1-2H3,(H,22,26)(H,23,27)/t14-/m0/s1.
What are the key properties of 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 25291228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).