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

C26H30N4O2 — CID 53143434

IUPAC2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2c(CC)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C26H30N4O2/c1-3-19-10-12-21(13-11-19)27-25(31)18-30-24(4-2)28-23-14-15-29(17-22(23)26(30)32)16-20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3,(H,27,31)
InChIKeyOGUHTLCGWFJSLQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.57
Rot. Bonds7

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

2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 53143434) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 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-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
PubChem CID53143434
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cn2c(CC)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1
InChIInChI=1S/C26H30N4O2/c1-3-19-10-12-21(13-11-19)27-25(31)18-30-24(4-2)28-23-14-15-29(17-22(23)26(30)32)16-20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3,(H,27,31)
InChIKeyOGUHTLCGWFJSLQ-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethylphenyl)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-ethylphenyl)acetamide (CID 53143434) is 2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-ethylphenyl)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-ethylphenyl)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-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cn2c(CC)nc3c(c2=O)CN(Cc2ccccc2)CC3)cc1.
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-ethylphenyl)acetamide?
The InChIKey is OGUHTLCGWFJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-19-10-12-21(13-11-19)27-25(31)18-30-24(4-2)28-23-14-15-29(17-22(23)26(30)32)16-20-8-6-5-7-9-20/h5-13H,3-4,14-18H2,1-2H3,(H,27,31).
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-ethylphenyl)acetamide?
2-(6-benzyl-2-ethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 430.55 g/mol, XLogP of 3.57, 7 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-ethylphenyl)acetamide is sourced from PubChem (CID 53143434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).