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

C24H22N4O4 — CID 66498750

IUPAC1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3nc2C)cc1
InChIInChI=1S/C24H22N4O4/c1-3-32-18-11-9-17(10-12-18)26-22(29)19-13-20-21(25-15(19)2)28(24(31)27-23(20)30)14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30,31)
InChIKeyYHNLZVULMXDHKU-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.09
Rot. Bonds6

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

1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 66498750) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID66498750
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3nc2C)cc1
InChIInChI=1S/C24H22N4O4/c1-3-32-18-11-9-17(10-12-18)26-22(29)19-13-20-21(25-15(19)2)28(24(31)27-23(20)30)14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30,31)
InChIKeyYHNLZVULMXDHKU-UHFFFAOYSA-N
XLogP3.09
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(4-methoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66498762
1-benzyl-N-(4-chlorophenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 66495728
ethyl 1-benzyl-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66490706
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
N-(4-ethoxyphenyl)-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 56737849
2-methoxyethyl 1-[(4-methoxyphenyl)methyl]-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
CID 66498784
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-(4-ethoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497881
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
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide (CID 66498750) is 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is CCOc1ccc(NC(=O)c2cc3c(=O)[nH]c(=O)n(Cc4ccccc4)c3nc2C)cc1.
What is the InChIKey of 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YHNLZVULMXDHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-3-32-18-11-9-17(10-12-18)26-22(29)19-13-20-21(25-15(19)2)28(24(31)27-23(20)30)14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,26,29)(H,27,30,31).
What are the key properties of 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide?
1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-ethoxyphenyl)-7-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 66498750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).