N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide

C21H18ClFN2O2 — CID 8671496

IUPACN-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2=O)c1
InChIInChI=1S/C21H18ClFN2O2/c1-13-3-4-14(2)16(9-13)12-25-11-15(5-8-20(25)26)21(27)24-17-6-7-19(23)18(22)10-17/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyCUCDUPVDOLKYPE-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.56
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8671496) has the molecular formula C21H18ClFN2O2 and a molecular weight of 384.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8671496
Molecular FormulaC21H18ClFN2O2
Molecular Weight384.84 g/mol
Exact Mass384.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2=O)c1
InChIInChI=1S/C21H18ClFN2O2/c1-13-3-4-14(2)16(9-13)12-25-11-15(5-8-20(25)26)21(27)24-17-6-7-19(23)18(22)10-17/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyCUCDUPVDOLKYPE-UHFFFAOYSA-N
XLogP4.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide 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

N-(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671500
N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671462
1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671512
1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8697710
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671499
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841
1-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671473
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698220
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8671496) is N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1ccc(C)c(Cn2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2=O)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is CUCDUPVDOLKYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O2/c1-13-3-4-14(2)16(9-13)12-25-11-15(5-8-20(25)26)21(27)24-17-6-7-19(23)18(22)10-17/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 384.84 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8671496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).