1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide

C23H27F2N3O3 — CID 42164159

IUPAC1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
SMILESCN(C)C(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C23H27F2N3O3/c1-27(2)23(31)18-14-28(12-15-6-4-3-5-7-15)13-17(21(18)29)22(30)26-11-16-8-9-19(24)20(25)10-16/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,26,30)
InChIKeyUOLVETGMOWQMAU-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.34
Rot. Bonds6

About 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide

1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42164159) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID42164159
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Name1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
SMILESCN(C)C(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C23H27F2N3O3/c1-27(2)23(31)18-14-28(12-15-6-4-3-5-7-15)13-17(21(18)29)22(30)26-11-16-8-9-19(24)20(25)10-16/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,26,30)
InChIKeyUOLVETGMOWQMAU-UHFFFAOYSA-N
XLogP3.34
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-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-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxo-5-N-[(2S)-2-phenylpropyl]pyridine-3,5-dicarboxamide
CID 26343601
3-N-benzyl-3-N-butyl-1-(cyclohexylmethyl)-5-N,5-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
CID 26332084
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[(3,4-difluorophenyl)methyl]-5-hydroxy-3,6-dioxo-12-oxa-2,9-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4,7-diene-7-carboxamide
CID 140649065
3-N-cyclooctyl-5-N-[(3-methylphenyl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45239019
1-(cyclohexylmethyl)-5-N-ethyl-4-oxo-3-N-[phenyl(pyridin-4-yl)methyl]pyridine-3,5-dicarboxamide
CID 45226945
(2R)-1-[(3,4-difluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922690
5-N-[2-(3-fluorophenyl)ethyl]-3-N-[(3-methylphenyl)methyl]-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 42544618
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26319537

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide (CID 42164159) is 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide is CN(C)C(=O)c1cn(CC2CCCCC2)cc(C(=O)NCc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is UOLVETGMOWQMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-27(2)23(31)18-14-28(12-15-6-4-3-5-7-15)13-17(21(18)29)22(30)26-11-16-8-9-19(24)20(25)10-16/h8-10,13-15H,3-7,11-12H2,1-2H3,(H,26,30).
What are the key properties of 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 431.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-N-[(3,4-difluorophenyl)methyl]-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42164159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).