N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

C20H16ClFN2O2 — CID 26843841

IUPACN-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C20H16ClFN2O2/c1-13-2-8-17(10-18(13)21)23-20(26)15-5-9-19(25)24(12-15)11-14-3-6-16(22)7-4-14/h2-10,12H,11H2,1H3,(H,23,26)
InChIKeyNAUVCKGVNRATOE-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.25
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide

N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 26843841) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID26843841
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1Cl
InChIInChI=1S/C20H16ClFN2O2/c1-13-2-8-17(10-18(13)21)23-20(26)15-5-9-19(25)24(12-15)11-14-3-6-16(22)7-4-14/h2-10,12H,11H2,1H3,(H,23,26)
InChIKeyNAUVCKGVNRATOE-UHFFFAOYSA-N
XLogP4.25
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843818
N-(4-acetylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671146
N-(3-chloro-4-fluorophenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671496
N-(3-chloro-4-methylphenyl)-1-(naphthalen-1-ylmethyl)-6-oxopyridine-3-carboxamide
CID 8698220
1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 26843824
N-(3-chloro-4-fluorophenyl)-1-[(3-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697484
1-[(2,4-dichlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8697710
N-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 3731074
1-[(3-chlorophenyl)methyl]-N-(3,4-difluorophenyl)-6-oxopyridine-3-carboxamide
CID 26844102
1-[(3,4-dichlorophenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8698322
butyl 4-[[1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]benzoate
CID 8671148
N-(5-acetamido-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383054

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide (CID 26843841) is N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is NAUVCKGVNRATOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-13-2-8-17(10-18(13)21)23-20(26)15-5-9-19(25)24(12-15)11-14-3-6-16(22)7-4-14/h2-10,12H,11H2,1H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 370.81 g/mol, XLogP of 4.25, 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-methylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 26843841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).