3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C21H33N3O4 — CID 45252429

IUPAC3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCC(O)CNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C21H33N3O4/c1-4-16(25)10-22-20(27)17-12-24(11-14(2)3)13-18(19(17)26)21(28)23-15-8-6-5-7-9-15/h12-16,25H,4-11H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyCIZXVLIAWUUKCI-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.07
Rot. Bonds8

About 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 45252429) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID45252429
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCC(O)CNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C21H33N3O4/c1-4-16(25)10-22-20(27)17-12-24(11-14(2)3)13-18(19(17)26)21(28)23-15-8-6-5-7-9-15/h12-16,25H,4-11H2,1-3H3,(H,22,27)(H,23,28)
InChIKeyCIZXVLIAWUUKCI-UHFFFAOYSA-N
XLogP2.07
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26363662
N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
CID 42463229
5-N-(3-methylbutyl)-1-(2-methylpropyl)-4-oxo-3-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-dicarboxamide
CID 26341265
5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
CID 45249695
3-N-cyclooctyl-4-oxo-5-N-(2-propan-2-yloxyethyl)-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 26343326
3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26341240
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-4-oxopyridine-3,5-dicarboxamide
CID 42482348
5-N-ethyl-3-N-[2-(4-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42422654
3-N-cyclooctyl-5-N-(3-ethoxypropyl)-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 42274204
3-N-cyclooctyl-5-N-(cyclopropylmethyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45215556
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 45252429) is 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is CCC(O)CNC(=O)c1cn(CC(C)C)cc(C(=O)NC2CCCCC2)c1=O.
What is the InChIKey of 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is CIZXVLIAWUUKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-4-16(25)10-22-20(27)17-12-24(11-14(2)3)13-18(19(17)26)21(28)23-15-8-6-5-7-9-15/h12-16,25H,4-11H2,1-3H3,(H,22,27)(H,23,28).
What are the key properties of 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 391.51 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-5-N-(2-hydroxybutyl)-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 45252429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).