5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

C21H33N3O3 — CID 45224585

IUPAC5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NC(C)CC)c1=O
InChIInChI=1S/C21H33N3O3/c1-5-7-12-23(4)21(27)18-14-24(16-10-8-9-11-16)13-17(19(18)25)20(26)22-15(3)6-2/h13-16H,5-12H2,1-4H3,(H,22,26)
InChIKeyIEPRGLYFYHGAEK-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.36
Rot. Bonds8

About 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide

5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45224585) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID45224585
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NC(C)CC)c1=O
InChIInChI=1S/C21H33N3O3/c1-5-7-12-23(4)21(27)18-14-24(16-10-8-9-11-16)13-17(19(18)25)20(26)22-15(3)6-2/h13-16H,5-12H2,1-4H3,(H,22,26)
InChIKeyIEPRGLYFYHGAEK-UHFFFAOYSA-N
XLogP3.36
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42499673
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-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228
1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290661
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26339286

Frequently Asked Questions

What is the IUPAC name of 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide (CID 45224585) is 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cn(C2CCCC2)cc(C(=O)NC(C)CC)c1=O.
What is the InChIKey of 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is IEPRGLYFYHGAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-5-7-12-23(4)21(27)18-14-24(16-10-8-9-11-16)13-17(19(18)25)20(26)22-15(3)6-2/h13-16H,5-12H2,1-4H3,(H,22,26).
What are the key properties of 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide?
5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 375.51 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45224585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).