1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

C23H20N4O4 — CID 66498762

IUPAC1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3nc2C)cc1
InChIInChI=1S/C23H20N4O4/c1-14-18(21(28)25-16-8-10-17(31-2)11-9-16)12-19-20(24-14)27(23(30)26-22(19)29)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,29,30)
InChIKeyHKQAABXGPXAGNR-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.70
Rot. Bonds5

About 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 66498762) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID66498762
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3nc2C)cc1
InChIInChI=1S/C23H20N4O4/c1-14-18(21(28)25-16-8-10-17(31-2)11-9-16)12-19-20(24-14)27(23(30)26-22(19)29)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,29,30)
InChIKeyHKQAABXGPXAGNR-UHFFFAOYSA-N
XLogP2.70
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498750
1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66495728
2-methoxyethyl 1-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66498784
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56738088
N-(5-chloro-2-methylphenyl)-7-methyl-2,4-dioxo-1-(2-phenylethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498667
N-(3-chlorophenyl)-1,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737907
1-(furan-2-ylmethyl)-7-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498823
3-benzyl-N-(4-methoxyphenyl)-4-methyl-2-oxo-1,3-thiazole-5-carboxamide
CID 129316336
6-benzyl-N-(4-fluorophenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339999
7-methyl-N-(2-methylphenyl)-2,4-dioxo-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498745
6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
CID 46339843

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 66498762) is 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is COc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3nc2C)cc1.
What is the InChIKey of 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HKQAABXGPXAGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-14-18(21(28)25-16-8-10-17(31-2)11-9-16)12-19-20(24-14)27(23(30)26-22(19)29)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,25,28)(H,26,29,30).
What are the key properties of 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 66498762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).