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

C21H33N3O4 — CID 42483113

IUPAC1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCC(C)C)c1=O
InChIInChI=1S/C21H33N3O4/c1-15(2)12-23-21(27)18-14-24(16-8-5-4-6-9-16)13-17(19(18)25)20(26)22-10-7-11-28-3/h13-16H,4-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyHSWROBVUJKXTSR-UHFFFAOYSA-N
MW391.51 g/mol
LogP2.51
Rot. Bonds9

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

1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42483113) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID42483113
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCOCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCC(C)C)c1=O
InChIInChI=1S/C21H33N3O4/c1-15(2)12-23-21(27)18-14-24(16-8-5-4-6-9-16)13-17(19(18)25)20(26)22-10-7-11-28-3/h13-16H,4-12H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyHSWROBVUJKXTSR-UHFFFAOYSA-N
XLogP2.51
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(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

1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
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
1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide
CID 26357797
N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26317253
3-N-cyclooctyl-5-N-(3-methoxypropyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45219359
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42212323
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 42483113) is 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is COCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)NCC(C)C)c1=O.
What is the InChIKey of 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is HSWROBVUJKXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-15(2)12-23-21(27)18-14-24(16-8-5-4-6-9-16)13-17(19(18)25)20(26)22-10-7-11-28-3/h13-16H,4-12H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 391.51 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42483113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).