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

C27H24ClN3O2 — CID 108790852

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2c(C)cc(C)cc2Cl)c1=O
InChIInChI=1S/C27H24ClN3O2/c1-4-31-27(33)23(26(32)29-24-18(3)15-17(2)16-21(24)28)22(19-11-7-5-8-12-19)25(30-31)20-13-9-6-10-14-20/h5-16H,4H2,1-3H3,(H,29,32)
InChIKeyPBXMWZWJIXTSIM-UHFFFAOYSA-N
MW457.96 g/mol
LogP6.12
Rot. Bonds5

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

N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108790852) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108790852
Molecular FormulaC27H24ClN3O2
Molecular Weight457.96 g/mol
Exact Mass457.16
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2c(C)cc(C)cc2Cl)c1=O
InChIInChI=1S/C27H24ClN3O2/c1-4-31-27(33)23(26(32)29-24-18(3)15-17(2)16-21(24)28)22(19-11-7-5-8-12-19)25(30-31)20-13-9-6-10-14-20/h5-16H,4H2,1-3H3,(H,29,32)
InChIKeyPBXMWZWJIXTSIM-UHFFFAOYSA-N
XLogP6.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-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

2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
N-(2,3-dichlorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790725
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803435
4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108803452
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
2-ethyl-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108733162
2-ethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108739068
N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790832
2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803455
2-ethyl-3-oxo-5,6-diphenyl-N-quinolin-8-ylpyridazine-4-carboxamide
CID 108790850
2-ethyl-N-(1H-indazol-6-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 21001865

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide (CID 108790852) is N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2c(C)cc(C)cc2Cl)c1=O.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is PBXMWZWJIXTSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c1-4-31-27(33)23(26(32)29-24-18(3)15-17(2)16-21(24)28)22(19-11-7-5-8-12-19)25(30-31)20-13-9-6-10-14-20/h5-16H,4H2,1-3H3,(H,29,32).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108790852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).