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

C18H15FN4O2 — CID 7597790

IUPAC1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)n1
InChIInChI=1S/C18H15FN4O2/c1-12-8-9-20-18(21-12)22-16(24)15-3-2-10-23(17(15)25)11-13-4-6-14(19)7-5-13/h2-10H,11H2,1H3,(H,20,21,22,24)
InChIKeyXRAKRTHADBEXQA-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.39
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide (PubChem CID 7597790) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
PubChem CID7597790
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
SMILESCc1ccnc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)n1
InChIInChI=1S/C18H15FN4O2/c1-12-8-9-20-18(21-12)22-16(24)15-3-2-10-23(17(15)25)11-13-4-6-14(19)7-5-13/h2-10H,11H2,1H3,(H,20,21,22,24)
InChIKeyXRAKRTHADBEXQA-UHFFFAOYSA-N
XLogP2.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide
CID 7598099
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7597691
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598774
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598014
ethyl 2-[2-[[1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 7597796
1-[(4-fluorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7597772
N'-[2-(4-fluorophenyl)acetyl]-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carbohydrazide
CID 30836978
1-[(4-chlorophenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)-2-oxopyridine-3-carboxamide
CID 7598102
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
CID 7598033

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide (CID 7597790) is 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide is Cc1ccnc(NC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)n1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is XRAKRTHADBEXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-12-8-9-20-18(21-12)22-16(24)15-3-2-10-23(17(15)25)11-13-4-6-14(19)7-5-13/h2-10H,11H2,1H3,(H,20,21,22,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(4-methylpyrimidin-2-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7597790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).