N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C22H22N4O3 — CID 9090833

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C22H22N4O3/c1-3-16-9-7-8-12-18(16)24-20(28)14-23-22(29)21-19(27)13-15(2)26(25-21)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyQAOGFAJNIBWLLO-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.47
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 9090833) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID9090833
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O
InChIInChI=1S/C22H22N4O3/c1-3-16-9-7-8-12-18(16)24-20(28)14-23-22(29)21-19(27)13-15(2)26(25-21)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyQAOGFAJNIBWLLO-UHFFFAOYSA-N
XLogP2.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
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-(3-aminopropyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide;hydrochloride
CID 119406647
N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51073720
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 31218833
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 26924295
N-(2-fluoro-5-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 36670494
N-[3-(N-ethylanilino)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 41278411

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 9090833) is N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1nn(-c2ccccc2)c(C)cc1=O.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is QAOGFAJNIBWLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-16-9-7-8-12-18(16)24-20(28)14-23-22(29)21-19(27)13-15(2)26(25-21)17-10-5-4-6-11-17/h4-13H,3,14H2,1-2H3,(H,23,29)(H,24,28).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 9090833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).