1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide

C22H20ClFN2O3 — CID 16574268

IUPAC1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1F
InChIInChI=1S/C22H20ClFN2O3/c1-14(15-7-9-20(29-2)19(24)11-15)25-22(28)17-8-10-21(27)26(13-17)12-16-5-3-4-6-18(16)23/h3-11,13-14H,12H2,1-2H3,(H,25,28)
InChIKeyGKFDFKZVGSOTFT-UHFFFAOYSA-N
MW414.86 g/mol
LogP4.19
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 16574268) has the molecular formula C22H20ClFN2O3 and a molecular weight of 414.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide
PubChem CID16574268
Molecular FormulaC22H20ClFN2O3
Molecular Weight414.86 g/mol
Exact Mass414.11
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1F
InChIInChI=1S/C22H20ClFN2O3/c1-14(15-7-9-20(29-2)19(24)11-15)25-22(28)17-8-10-21(27)26(13-17)12-16-5-3-4-6-18(16)23/h3-11,13-14H,12H2,1-2H3,(H,25,28)
InChIKeyGKFDFKZVGSOTFT-UHFFFAOYSA-N
XLogP4.19
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.86
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-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

1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 18281965
1-[(2-chlorophenyl)methyl]-6-oxo-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 18160634
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
3-(2-chlorophenyl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 46674104
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
1-[(2-chlorophenyl)methyl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopyridine-3-carboxamide
CID 112845976
1-[(2-chlorophenyl)methyl]-N-[1-(4-chlorophenyl)propyl]-6-oxopyridine-3-carboxamide
CID 16602961
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
1-[(2-chlorophenyl)methyl]-N-(4,5-dimethoxy-2-methylphenyl)-6-oxopyridine-3-carboxamide
CID 24559729
2-benzyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46655605
2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide (CID 16574268) is 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide is COc1ccc(C(C)NC(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)cc1F.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is GKFDFKZVGSOTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3/c1-14(15-7-9-20(29-2)19(24)11-15)25-22(28)17-8-10-21(27)26(13-17)12-16-5-3-4-6-18(16)23/h3-11,13-14H,12H2,1-2H3,(H,25,28).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 414.86 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 16574268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).