1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C25H33N3O4 — CID 42366923

IUPAC1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C3CCCC3)cc(C(=O)N(C)CC(C)C)c2=O)cc1
InChIInChI=1S/C25H33N3O4/c1-17(2)14-27(3)25(31)22-16-28(19-7-5-6-8-19)15-21(23(22)29)24(30)26-13-18-9-11-20(32-4)12-10-18/h9-12,15-17,19H,5-8,13-14H2,1-4H3,(H,26,30)
InChIKeyBFUMBIIDRKWSOH-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.63
Rot. Bonds8

About 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42366923) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID42366923
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cn(C3CCCC3)cc(C(=O)N(C)CC(C)C)c2=O)cc1
InChIInChI=1S/C25H33N3O4/c1-17(2)14-27(3)25(31)22-16-28(19-7-5-6-8-19)15-21(23(22)29)24(30)26-13-18-9-11-20(32-4)12-10-18/h9-12,15-17,19H,5-8,13-14H2,1-4H3,(H,26,30)
InChIKeyBFUMBIIDRKWSOH-UHFFFAOYSA-N
XLogP3.63
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42471912
1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26339286
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
1-cyclohexyl-5-N-cyclopropyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26336152
3-N-methyl-3-N-(2-methylpropyl)-4-oxo-1-propan-2-yl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290675
5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42192459
3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
1-cyclopentyl-3-N,3-N-diethyl-4-oxo-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 26359449
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide
CID 26357797
5-N-benzyl-1-cyclopropyl-3-N-[(1S)-1-naphthalen-1-ylethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26399691

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 42366923) is 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is COc1ccc(CNC(=O)c2cn(C3CCCC3)cc(C(=O)N(C)CC(C)C)c2=O)cc1.
What is the InChIKey of 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is BFUMBIIDRKWSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-17(2)14-27(3)25(31)22-16-28(19-7-5-6-8-19)15-21(23(22)29)24(30)26-13-18-9-11-20(32-4)12-10-18/h9-12,15-17,19H,5-8,13-14H2,1-4H3,(H,26,30).
What are the key properties of 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 439.56 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42366923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).