5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide

C23H29N3O3 — CID 26363741

IUPAC5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C23H29N3O3/c1-3-16(2)25-23(29)20-15-26(18-11-7-8-12-18)14-19(21(20)27)22(28)24-13-17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,3,7-8,11-13H2,1-2H3,(H,24,28)(H,25,29)/t16-/m0/s1
InChIKeyCNPRFWBMOJRVHQ-INIZCTEOSA-N
MW395.50 g/mol
LogP3.42
Rot. Bonds7

About 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide

5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26363741) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID26363741
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C23H29N3O3/c1-3-16(2)25-23(29)20-15-26(18-11-7-8-12-18)14-19(21(20)27)22(28)24-13-17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,3,7-8,11-13H2,1-2H3,(H,24,28)(H,25,29)/t16-/m0/s1
InChIKeyCNPRFWBMOJRVHQ-INIZCTEOSA-N
XLogP3.42
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42499673
5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26399691
5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45224585
1-cyclohexyl-3-N-(1,2-diphenylethyl)-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45195813
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
1-cyclopentyl-5-N-ethyl-3-N-[furan-2-yl(phenyl)methyl]-4-oxopyridine-3,5-dicarboxamide
CID 45232910
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
methyl (2R)-1-[5-(benzylcarbamoyl)-4-oxo-1-propan-2-ylpyridine-3-carbonyl]piperidine-2-carboxylate
CID 25365815
1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290661
1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 26359449
1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide (CID 26363741) is 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide is CC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCc2ccccc2)c1=O.
What is the InChIKey of 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is CNPRFWBMOJRVHQ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-16(2)25-23(29)20-15-26(18-11-7-8-12-18)14-19(21(20)27)22(28)24-13-17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,3,7-8,11-13H2,1-2H3,(H,24,28)(H,25,29)/t16-/m0/s1.
What are the key properties of 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide?
5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26363741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).