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

C24H22N4O5 — CID 53157135

IUPACN-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H22N4O5/c1-14-5-8-17(9-6-14)28-21-18(23(30)27(2)24(28)31)11-15(13-25-21)22(29)26-16-7-10-19(32-3)20(12-16)33-4/h5-13H,1-4H3,(H,26,29)
InChIKeyGVELVVLJEKODTD-UHFFFAOYSA-N
MW446.46 g/mol
LogP2.66
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 53157135) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID53157135
Molecular FormulaC24H22N4O5
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC NameN-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(C)cc2)cc1OC
InChIInChI=1S/C24H22N4O5/c1-14-5-8-17(9-6-14)28-21-18(23(30)27(2)24(28)31)11-15(13-25-21)22(29)26-16-7-10-19(32-3)20(12-16)33-4/h5-13H,1-4H3,(H,26,29)
InChIKeyGVELVVLJEKODTD-UHFFFAOYSA-N
XLogP2.66
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 53157132
N-(4-fluoro-3-methylphenyl)-3-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 53157091
N-[4-(dimethylamino)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 78840610
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)-3-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 95099108
N-(3-carbamoyl-4-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36526743
1,3-dimethyl-2,4-dioxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 43044037
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55457311
N-(3,4-dimethoxyphenyl)-4-methyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
CID 53080300
3,4,5-trimethoxy-N-[1-(4-methylphenyl)benzimidazol-5-yl]benzamide
CID 1077763
N-(4-methylphenyl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 109265747
N-(3,4-dimethoxyphenyl)-2-[(4-methylbenzoyl)amino]benzamide
CID 110602599
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 53157135) is N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3-c2ccc(C)cc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GVELVVLJEKODTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-14-5-8-17(9-6-14)28-21-18(23(30)27(2)24(28)31)11-15(13-25-21)22(29)26-16-7-10-19(32-3)20(12-16)33-4/h5-13H,1-4H3,(H,26,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53157135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).