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

C13H12ClN3O — CID 54944461

IUPAC6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H12ClN3O/c1-9-4-2-3-5-10(9)8-15-13(18)11-6-7-12(14)17-16-11/h2-7H,8H2,1H3,(H,15,18)
InChIKeyIJBLEFKBNQDEDM-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.37
Rot. Bonds3

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

6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 54944461) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID54944461
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H12ClN3O/c1-9-4-2-3-5-10(9)8-15-13(18)11-6-7-12(14)17-16-11/h2-7H,8H2,1H3,(H,15,18)
InChIKeyIJBLEFKBNQDEDM-UHFFFAOYSA-N
XLogP2.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118200
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
6-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 61282849
2-(2-chloroanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327516
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide (CID 54944461) is 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide is Cc1ccccc1CNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is IJBLEFKBNQDEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-4-2-3-5-10(9)8-15-13(18)11-6-7-12(14)17-16-11/h2-7H,8H2,1H3,(H,15,18).
What are the key properties of 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 54944461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).