N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide

C26H26N4O3 — CID 53027332

IUPACN-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C26H26N4O3/c1-19-6-5-9-22(18-19)27-26(33)23-10-11-25(32)30(28-23)17-14-24(31)29-15-12-21(13-16-29)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3,(H,27,33)
InChIKeyAHJFDMMTNBQTSU-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.51
Rot. Bonds6

About N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide

N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide (PubChem CID 53027332) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide
PubChem CID53027332
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)n2)c1
InChIInChI=1S/C26H26N4O3/c1-19-6-5-9-22(18-19)27-26(33)23-10-11-25(32)30(28-23)17-14-24(31)29-15-12-21(13-16-29)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3,(H,27,33)
InChIKeyAHJFDMMTNBQTSU-UHFFFAOYSA-N
XLogP3.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide 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-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide (CID 53027332) is N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide?
The InChIKey is AHJFDMMTNBQTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-19-6-5-9-22(18-19)27-26(33)23-10-11-25(32)30(28-23)17-14-24(31)29-15-12-21(13-16-29)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3,(H,27,33).
What are the key properties of N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide?
N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-6-oxo-1-[3-oxo-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 53027332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).