2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide

C24H26N4O3 — CID 46962449

IUPAC2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C24H26N4O3/c1-17-25-22-15-27(14-18-6-4-3-5-7-18)13-12-21(22)24(30)28(17)16-23(29)26-19-8-10-20(31-2)11-9-19/h3-11H,12-16H2,1-2H3,(H,26,29)
InChIKeyZVKYAHHINKARGX-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.76
Rot. Bonds6

About 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide

2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 46962449) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID46962449
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C24H26N4O3/c1-17-25-22-15-27(14-18-6-4-3-5-7-18)13-12-21(22)24(30)28(17)16-23(29)26-19-8-10-20(31-2)11-9-19/h3-11H,12-16H2,1-2H3,(H,26,29)
InChIKeyZVKYAHHINKARGX-UHFFFAOYSA-N
XLogP2.76
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide (CID 46962449) is 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZVKYAHHINKARGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-25-22-15-27(14-18-6-4-3-5-7-18)13-12-21(22)24(30)28(17)16-23(29)26-19-8-10-20(31-2)11-9-19/h3-11H,12-16H2,1-2H3,(H,26,29).
What are the key properties of 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide?
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 46962449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).