N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C17H13FN4O4 — CID 167936599

IUPACN-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)ccc1F
InChIInChI=1S/C17H13FN4O4/c1-7-5-12(20-14-13(7)16(25)22-17(26)21-14)15(24)19-9-3-4-11(18)10(6-9)8(2)23/h3-6H,1-2H3,(H,19,24)(H2,20,21,22,25,26)
InChIKeyWBQQOFDYKPUYCE-UHFFFAOYSA-N
MW356.31 g/mol
LogP1.51
Rot. Bonds3

About N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 167936599) has the molecular formula C17H13FN4O4 and a molecular weight of 356.31 g/mol. Its IUPAC name is N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID167936599
Molecular FormulaC17H13FN4O4
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC NameN-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCC(=O)c1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)ccc1F
InChIInChI=1S/C17H13FN4O4/c1-7-5-12(20-14-13(7)16(25)22-17(26)21-14)15(24)19-9-3-4-11(18)10(6-9)8(2)23/h3-6H,1-2H3,(H,19,24)(H2,20,21,22,25,26)
InChIKeyWBQQOFDYKPUYCE-UHFFFAOYSA-N
XLogP1.51
TPSA124.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166189433
N-(7,8-dimethylquinolin-5-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166218572
5-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 146080739
methyl 2-fluoro-5-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32709892
N-(3-chloro-4-methylphenyl)-7-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498818
N-[1-(aminomethyl)cyclopentyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 119568015
5,7-dimethyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 5410048
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119608576
5-[(5-bromo-2-fluorobenzoyl)amino]-2-methylbenzoic acid
CID 63653499
5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 167936599) is N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is CC(=O)c1cc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)ccc1F.
What is the InChIKey of N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is WBQQOFDYKPUYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O4/c1-7-5-12(20-14-13(7)16(25)22-17(26)21-14)15(24)19-9-3-4-11(18)10(6-9)8(2)23/h3-6H,1-2H3,(H,19,24)(H2,20,21,22,25,26).
What are the key properties of N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 167936599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).