1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide

C20H15Cl2FN2O2 — CID 8697710

IUPAC1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3Cl)c2)cc1F
InChIInChI=1S/C20H15Cl2FN2O2/c1-12-2-6-16(9-18(12)23)24-20(27)14-4-7-19(26)25(11-14)10-13-3-5-15(21)8-17(13)22/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeyMRYQLFOBXMFBMX-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.90
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide

1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 8697710) has the molecular formula C20H15Cl2FN2O2 and a molecular weight of 405.26 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID8697710
Molecular FormulaC20H15Cl2FN2O2
Molecular Weight405.26 g/mol
Exact Mass404.05
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3Cl)c2)cc1F
InChIInChI=1S/C20H15Cl2FN2O2/c1-12-2-6-16(9-18(12)23)24-20(27)14-4-7-19(26)25(11-14)10-13-3-5-15(21)8-17(13)22/h2-9,11H,10H2,1H3,(H,24,27)
InChIKeyMRYQLFOBXMFBMX-UHFFFAOYSA-N
XLogP4.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671496
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843841
N-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671462
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102
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-(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671500
1-[(2-chlorophenyl)methyl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-oxopyridine-3-carboxamide
CID 112845976
1-[(2,5-dimethylphenyl)methyl]-N-(4-fluoro-3-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671512
N-(3,4-difluorophenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698182
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 26844078

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide (CID 8697710) is 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(Cl)cc3Cl)c2)cc1F.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is MRYQLFOBXMFBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2O2/c1-12-2-6-16(9-18(12)23)24-20(27)14-4-7-19(26)25(11-14)10-13-3-5-15(21)8-17(13)22/h2-9,11H,10H2,1H3,(H,24,27).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide?
1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 405.26 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8697710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).