1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide

C23H18FN3O2 — CID 7598978

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c2ccccc2n1
InChIInChI=1S/C23H18FN3O2/c1-15-13-21(17-8-3-5-11-20(17)25-15)26-22(28)18-9-6-12-27(23(18)29)14-16-7-2-4-10-19(16)24/h2-13H,14H2,1H3,(H,25,26,28)
InChIKeyHCKPGVDYMMCDQZ-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.14
Rot. Bonds4

About 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7598978) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
PubChem CID7598978
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c2ccccc2n1
InChIInChI=1S/C23H18FN3O2/c1-15-13-21(17-8-3-5-11-20(17)25-15)26-22(28)18-9-6-12-27(23(18)29)14-16-7-2-4-10-19(16)24/h2-13H,14H2,1H3,(H,25,26,28)
InChIKeyHCKPGVDYMMCDQZ-UHFFFAOYSA-N
XLogP4.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide
CID 18582557
1-[(2-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598870
1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 7597976
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597913
3-[(2-chlorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027133
N-(4-carbamoylphenyl)-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599031
methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597894
1-[(2-chlorophenyl)methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598500
1-[(2-fluorophenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 16803768

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide (CID 7598978) is 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide is Cc1cc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c2ccccc2n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is HCKPGVDYMMCDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-15-13-21(17-8-3-5-11-20(17)25-15)26-22(28)18-9-6-12-27(23(18)29)14-16-7-2-4-10-19(16)24/h2-13H,14H2,1H3,(H,25,26,28).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-methylquinolin-4-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7598978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).