N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide

C23H25N3O2 — CID 4144039

IUPACN-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(CCNC(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C23H25N3O2/c1-17-3-7-19(8-4-17)13-15-24-22(27)14-16-26-23(28)12-11-21(25-26)20-9-5-18(2)6-10-20/h3-12H,13-16H2,1-2H3,(H,24,27)
InChIKeyZYJOJWGIYNXTKP-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.28
Rot. Bonds7

About N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide

N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 4144039) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID4144039
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(CCNC(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C23H25N3O2/c1-17-3-7-19(8-4-17)13-15-24-22(27)14-16-26-23(28)12-11-21(25-26)20-9-5-18(2)6-10-20/h3-12H,13-16H2,1-2H3,(H,24,27)
InChIKeyZYJOJWGIYNXTKP-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide 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 N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide (CID 4144039) is N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(CCNC(=O)CCn2nc(-c3ccc(C)cc3)ccc2=O)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is ZYJOJWGIYNXTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-3-7-19(8-4-17)13-15-24-22(27)14-16-26-23(28)12-11-21(25-26)20-9-5-18(2)6-10-20/h3-12H,13-16H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide?
N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 4144039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).