N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide

C19H18N4O — CID 109117896

IUPACN-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCc1ccccc1Nc1ccc(C(=O)NCc2ccccc2)nn1
InChIInChI=1S/C19H18N4O/c1-14-7-5-6-10-16(14)21-18-12-11-17(22-23-18)19(24)20-13-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyPJHVGFYOLSPONL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.46
Rot. Bonds5

About N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide

N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide (PubChem CID 109117896) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
PubChem CID109117896
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCc1ccccc1Nc1ccc(C(=O)NCc2ccccc2)nn1
InChIInChI=1S/C19H18N4O/c1-14-7-5-6-10-16(14)21-18-12-11-17(22-23-18)19(24)20-13-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyPJHVGFYOLSPONL-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109122525
N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109117975
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121435
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide (CID 109117896) is N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide is Cc1ccccc1Nc1ccc(C(=O)NCc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide?
The InChIKey is PJHVGFYOLSPONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-7-5-6-10-16(14)21-18-12-11-17(22-23-18)19(24)20-13-15-8-3-2-4-9-15/h2-12H,13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide?
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).