2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide

C26H23N3O2 — CID 108803513

IUPAC2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2cccc(C)c2)c1=O
InChIInChI=1S/C26H23N3O2/c1-3-29-26(31)23(25(30)27-21-16-10-11-18(2)17-21)22(19-12-6-4-7-13-19)24(28-29)20-14-8-5-9-15-20/h4-17H,3H2,1-2H3,(H,27,30)
InChIKeyZQFOJMUCMRHOIE-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.16
Rot. Bonds5

About 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide

2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108803513) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108803513
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2cccc(C)c2)c1=O
InChIInChI=1S/C26H23N3O2/c1-3-29-26(31)23(25(30)27-21-16-10-11-18(2)17-21)22(19-12-6-4-7-13-19)24(28-29)20-14-8-5-9-15-20/h4-17H,3H2,1-2H3,(H,27,30)
InChIKeyZQFOJMUCMRHOIE-UHFFFAOYSA-N
XLogP5.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108803452
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790852
2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 21001865
N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790832
N-(2,3-dichlorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790725
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803435
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
2-ethyl-3-oxo-5,6-diphenyl-N-quinolin-8-ylpyridazine-4-carboxamide
CID 108790850
2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803445
2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803455
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108803513) is 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2cccc(C)c2)c1=O.
What is the InChIKey of 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is ZQFOJMUCMRHOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-3-29-26(31)23(25(30)27-21-16-10-11-18(2)17-21)22(19-12-6-4-7-13-19)24(28-29)20-14-8-5-9-15-20/h4-17H,3H2,1-2H3,(H,27,30).
What are the key properties of 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108803513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).