2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide

C23H23ClN4O3 — CID 140505207

IUPAC2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nn(-c2ccccc2Cl)c1=O)N1CCOCC1
InChIInChI=1S/C23H23ClN4O3/c1-16(27-11-13-31-14-12-27)25-22(29)18-15-20(17-7-3-2-4-8-17)26-28(23(18)30)21-10-6-5-9-19(21)24/h2-10,15-16H,11-14H2,1H3,(H,25,29)
InChIKeyMMLSWVGKZBIYEQ-UHFFFAOYSA-N
MW438.92 g/mol
LogP2.96
Rot. Bonds5

About 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide

2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide (PubChem CID 140505207) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide
PubChem CID140505207
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nn(-c2ccccc2Cl)c1=O)N1CCOCC1
InChIInChI=1S/C23H23ClN4O3/c1-16(27-11-13-31-14-12-27)25-22(29)18-15-20(17-7-3-2-4-8-17)26-28(23(18)30)21-10-6-5-9-19(21)24/h2-10,15-16H,11-14H2,1H3,(H,25,29)
InChIKeyMMLSWVGKZBIYEQ-UHFFFAOYSA-N
XLogP2.96
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-morpholin-4-ylethyl)-6-oxo-3-phenyl-1H-pyridazine-5-carboxamide
CID 139978344
2-(2-chlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058359
1-(2-chlorophenyl)-N-(3-methylbutyl)-3-phenylpyrazole-5-carboxamide
CID 3565109
[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 3999491
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 94116708
1-(2-chlorophenyl)-N-(4-fluorophenyl)-3-phenylpyrazole-5-carboxamide
CID 4298131
1-(2-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 5094292
2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-(2-methoxyethyl)-6-oxopyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 68879159
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7218983
N-[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-methoxyacetyl)-propan-2-ylamino]acetamide
CID 42740898
N-(5-chloro-2-morpholin-4-ylphenyl)-1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 16561882
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]-3-oxopyridazine-4-carboxamide
CID 138634063

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide (CID 140505207) is 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide is CC(NC(=O)c1cc(-c2ccccc2)nn(-c2ccccc2Cl)c1=O)N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide?
The InChIKey is MMLSWVGKZBIYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-16(27-11-13-31-14-12-27)25-22(29)18-15-20(17-7-3-2-4-8-17)26-28(23(18)30)21-10-6-5-9-19(21)24/h2-10,15-16H,11-14H2,1H3,(H,25,29).
What are the key properties of 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide?
2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(1-morpholin-4-ylethyl)-3-oxo-6-phenylpyridazine-4-carboxamide is sourced from PubChem (CID 140505207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).