N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide

C20H19ClN4O — CID 109118063

IUPACN-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)12-22-19-10-9-18(24-25-19)20(26)23-16-8-7-14(2)17(21)11-16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPQVNEGLIXWLZTC-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.61
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide

N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118063) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118063
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)cc1Cl
InChIInChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)12-22-19-10-9-18(24-25-19)20(26)23-16-8-7-14(2)17(21)11-16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyPQVNEGLIXWLZTC-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320
N-(3-chloro-4-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368566
N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117441
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
6-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119678
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
N-[2-(4-chlorophenyl)ethyl]-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118017
N-butyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109110791

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118063) is N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is PQVNEGLIXWLZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-5-3-4-6-15(13)12-22-19-10-9-18(24-25-19)20(26)23-16-8-7-14(2)17(21)11-16/h3-11H,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).