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

C25H28N4O2 — CID 53143435

IUPAC2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H28N4O2/c1-3-23-27-22-13-14-28(15-19-7-5-4-6-8-19)16-21(22)25(31)29(23)17-24(30)26-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3,(H,26,30)
InChIKeyOUIBPKKEFBZWML-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.31
Rot. Bonds6

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

2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide (PubChem CID 53143435) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
PubChem CID53143435
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide
SMILESCCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C25H28N4O2/c1-3-23-27-22-13-14-28(15-19-7-5-4-6-8-19)16-21(22)25(31)29(23)17-24(30)26-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3,(H,26,30)
InChIKeyOUIBPKKEFBZWML-UHFFFAOYSA-N
XLogP3.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide (CID 53143435) is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide is CCc1nc2c(c(=O)n1CC(=O)Nc1ccc(C)cc1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is OUIBPKKEFBZWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-3-23-27-22-13-14-28(15-19-7-5-4-6-8-19)16-21(22)25(31)29(23)17-24(30)26-20-11-9-18(2)10-12-20/h4-12H,3,13-17H2,1-2H3,(H,26,30).
What are the key properties of 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide?
2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 416.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 53143435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).