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

C21H19FN2O2 — CID 7597601

IUPACN-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1C
InChIInChI=1S/C21H19FN2O2/c1-14-8-9-18(11-15(14)2)23-20(25)19-7-4-10-24(21(19)26)13-16-5-3-6-17(22)12-16/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyKTJMQWQXNXVVMW-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.90
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7597601) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7597601
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1C
InChIInChI=1S/C21H19FN2O2/c1-14-8-9-18(11-15(14)2)23-20(25)19-7-4-10-24(21(19)26)13-16-5-3-6-17(22)12-16/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyKTJMQWQXNXVVMW-UHFFFAOYSA-N
XLogP3.90
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-benzamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
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N-(3,4-difluorophenyl)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propanamide hydrochloride
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3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 771783
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CID 46911790
1-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)-2-oxoquinoline-3-carboxamide
CID 118735884
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-2-methylbenzamide
CID 168283392
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-fluoro-5-[(4-fluorobenzoyl)amino]benzamide
CID 168287836
N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 168290241

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7597601) is N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is KTJMQWQXNXVVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-14-8-9-18(11-15(14)2)23-20(25)19-7-4-10-24(21(19)26)13-16-5-3-6-17(22)12-16/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7597601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).