N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C23H19FN4O4 — CID 53157113

IUPACN-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)n(C)c(=O)c3cc(C(=O)Nc4ccc(C)cc4F)cnc32)cc1
InChIInChI=1S/C23H19FN4O4/c1-13-4-9-19(18(24)10-13)26-21(29)14-11-17-20(25-12-14)28(23(31)27(2)22(17)30)15-5-7-16(32-3)8-6-15/h4-12H,1-3H3,(H,26,29)
InChIKeyZOYKSOHFEPRWEV-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.79
Rot. Bonds4

About N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53157113) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53157113
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC NameN-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(-n2c(=O)n(C)c(=O)c3cc(C(=O)Nc4ccc(C)cc4F)cnc32)cc1
InChIInChI=1S/C23H19FN4O4/c1-13-4-9-19(18(24)10-13)26-21(29)14-11-17-20(25-12-14)28(23(31)27(2)22(17)30)15-5-7-16(32-3)8-6-15/h4-12H,1-3H3,(H,26,29)
InChIKeyZOYKSOHFEPRWEV-UHFFFAOYSA-N
XLogP2.79
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53157118
N-(3-methoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53157132
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 95099108
N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53157135
N-(2-fluoro-4-methylphenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726909
N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 53157091
N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24631901
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31316920
N-[2-(4-ethoxyphenoxy)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 24673188
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
1,3-dimethyl-2,4-dioxo-N-propan-2-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46517834

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 53157113) is N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is COc1ccc(-n2c(=O)n(C)c(=O)c3cc(C(=O)Nc4ccc(C)cc4F)cnc32)cc1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZOYKSOHFEPRWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4/c1-13-4-9-19(18(24)10-13)26-21(29)14-11-17-20(25-12-14)28(23(31)27(2)22(17)30)15-5-7-16(32-3)8-6-15/h4-12H,1-3H3,(H,26,29).
What are the key properties of N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 434.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53157113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).