2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide

C21H30N4O3 — CID 128991744

IUPAC2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide
SMILESCC(=O)N1CCc2c(ncn(CC(=O)N(C3CCC(C)CC3)C3CC3)c2=O)C1
InChIInChI=1S/C21H30N4O3/c1-14-3-5-16(6-4-14)25(17-7-8-17)20(27)12-24-13-22-19-11-23(15(2)26)10-9-18(19)21(24)28/h13-14,16-17H,3-12H2,1-2H3
InChIKeyRGFKGGZBHWDWEW-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.72
Rot. Bonds4

About 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide

2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide (PubChem CID 128991744) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide
PubChem CID128991744
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide
SMILESCC(=O)N1CCc2c(ncn(CC(=O)N(C3CCC(C)CC3)C3CC3)c2=O)C1
InChIInChI=1S/C21H30N4O3/c1-14-3-5-16(6-4-14)25(17-7-8-17)20(27)12-24-13-22-19-11-23(15(2)26)10-9-18(19)21(24)28/h13-14,16-17H,3-12H2,1-2H3
InChIKeyRGFKGGZBHWDWEW-UHFFFAOYSA-N
XLogP1.72
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)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-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide (CID 128991744) is 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide is CC(=O)N1CCc2c(ncn(CC(=O)N(C3CCC(C)CC3)C3CC3)c2=O)C1.
What is the InChIKey of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide?
The InChIKey is RGFKGGZBHWDWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14-3-5-16(6-4-14)25(17-7-8-17)20(27)12-24-13-22-19-11-23(15(2)26)10-9-18(19)21(24)28/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide?
2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-cyclopropyl-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 128991744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).