N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

C17H13ClN4O2 — CID 122151177

IUPACN-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Nc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H13ClN4O2/c18-11-6-7-13(15(10-11)19-12-4-2-1-3-5-12)20-17(24)14-8-9-16(23)22-21-14/h1-10,19H,(H,20,24)(H,22,23)
InChIKeyMRTGYKLTKLNRJQ-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.42
Rot. Bonds4

About N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 122151177) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID122151177
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC NameN-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Nc1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H13ClN4O2/c18-11-6-7-13(15(10-11)19-12-4-2-1-3-5-12)20-17(24)14-8-9-16(23)22-21-14/h1-10,19H,(H,20,24)(H,22,23)
InChIKeyMRTGYKLTKLNRJQ-UHFFFAOYSA-N
XLogP3.42
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
CID 86975908
N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 112790938
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
N-(2,4-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200683
N-[5-chloro-2-(cyclobutylmethoxy)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 99829500
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103822749
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 122151177) is N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Nc1ccccc1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MRTGYKLTKLNRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-11-6-7-13(15(10-11)19-12-4-2-1-3-5-12)20-17(24)14-8-9-16(23)22-21-14/h1-10,19H,(H,20,24)(H,22,23).
What are the key properties of N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 122151177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).