N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C23H19FN4O4 — CID 53157118

IUPACN-(2-fluoro-5-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)Nc4cc(C)ccc4F)cnc32)cc1
InChIInChI=1S/C23H19FN4O4/c1-13-4-9-18(24)19(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)
InChIKeyVHOVLGHKDQXUBA-UHFFFAOYSA-N
MW434.43 g/mol
LogP2.79
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53157118) has the molecular formula C23H19FN4O4 and a molecular weight of 434.43 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53157118
Molecular FormulaC23H19FN4O4
Molecular Weight434.43 g/mol
Exact Mass434.14
IUPAC NameN-(2-fluoro-5-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)Nc4cc(C)ccc4F)cnc32)cc1
InChIInChI=1S/C23H19FN4O4/c1-13-4-9-18(24)19(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)
InChIKeyVHOVLGHKDQXUBA-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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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 53157118) is N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-fluoro-5-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)Nc4cc(C)ccc4F)cnc32)cc1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VHOVLGHKDQXUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4/c1-13-4-9-18(24)19(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-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(2-fluoro-5-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-5-methylphenyl)-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53157118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).