N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide

C21H22N4O — CID 109118463

IUPACN-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccc(CNc2ccc(C(=O)N(C)Cc3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-16-8-10-17(11-9-16)14-22-20-13-12-19(23-24-20)21(26)25(2)15-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyFUOPZEHQAYJAOU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.67
Rot. Bonds6

About N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide

N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118463) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118463
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCc1ccc(CNc2ccc(C(=O)N(C)Cc3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-16-8-10-17(11-9-16)14-22-20-13-12-19(23-24-20)21(26)25(2)15-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyFUOPZEHQAYJAOU-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347263
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 109119063
N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120158
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109117833
N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109119135

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118463) is N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide is Cc1ccc(CNc2ccc(C(=O)N(C)Cc3ccccc3)nn2)cc1.
What is the InChIKey of N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is FUOPZEHQAYJAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-8-10-17(11-9-16)14-22-20-13-12-19(23-24-20)21(26)25(2)15-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).