N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C20H19N3O2 — CID 8565302

IUPACN-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C20H19N3O2/c1-3-15-9-7-8-12-17(15)21-20(25)19-18(24)13-14(2)23(22-19)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,21,25)
InChIKeyDJAVGWLOCZLYGN-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.36
Rot. Bonds4

About N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 8565302) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID8565302
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C20H19N3O2/c1-3-15-9-7-8-12-17(15)21-20(25)19-18(24)13-14(2)23(22-19)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,21,25)
InChIKeyDJAVGWLOCZLYGN-UHFFFAOYSA-N
XLogP3.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9090833
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51073720
N-(2-fluoro-5-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 36670494
N-(5-tert-butyl-2-hydroxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17481644
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-(2-ethylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 4851911
6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8810913
N-(3-ethyl-2-hydroxypentyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 111115964
6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796
N-[4-(cyanomethyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27163514
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 8565302) is N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is CCc1ccccc1NC(=O)c1nn(-c2ccccc2)c(C)cc1=O.
What is the InChIKey of N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is DJAVGWLOCZLYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-15-9-7-8-12-17(15)21-20(25)19-18(24)13-14(2)23(22-19)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,21,25).
What are the key properties of N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 8565302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).