6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide

C19H17ClN4O — CID 109118178

IUPAC6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C19H17ClN4O/c1-13-6-2-3-7-14(13)12-21-19(25)17-10-11-18(24-23-17)22-16-9-5-4-8-15(16)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyLDBAYVCDYZIDFJ-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.11
Rot. Bonds5

About 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide

6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109118178) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109118178
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Nc2ccccc2Cl)nn1
InChIInChI=1S/C19H17ClN4O/c1-13-6-2-3-7-14(13)12-21-19(25)17-10-11-18(24-23-17)22-16-9-5-4-8-15(16)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyLDBAYVCDYZIDFJ-UHFFFAOYSA-N
XLogP4.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119356
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
6-(2-chloroanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110495
6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118200
2-(2-chloroanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327516
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
6-N-(3-chloro-2-methylphenyl)-2-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097382
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide (CID 109118178) is 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide is Cc1ccccc1CNC(=O)c1ccc(Nc2ccccc2Cl)nn1.
What is the InChIKey of 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is LDBAYVCDYZIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-6-2-3-7-14(13)12-21-19(25)17-10-11-18(24-23-17)22-16-9-5-4-8-15(16)20/h2-11H,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109118178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).