6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide

C20H20N4O — CID 133313290

IUPAC6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCc1ccccc1CN(C)c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C20H20N4O/c1-15-8-6-7-9-16(15)14-24(2)19-13-12-18(22-23-19)20(25)21-17-10-4-3-5-11-17/h3-13H,14H2,1-2H3,(H,21,25)
InChIKeyCXWJDQUATZBZEM-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.67
Rot. Bonds5

About 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide

6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313290) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
PubChem CID133313290
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
SMILESCc1ccccc1CN(C)c1ccc(C(=O)Nc2ccccc2)nn1
InChIInChI=1S/C20H20N4O/c1-15-8-6-7-9-16(15)14-24(2)19-13-12-18(22-23-19)20(25)21-17-10-4-3-5-11-17/h3-13H,14H2,1-2H3,(H,21,25)
InChIKeyCXWJDQUATZBZEM-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313505
6-[2-ethoxyethyl(methyl)amino]-N-phenylpyridazine-3-carboxamide
CID 133445922
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
6-(chloromethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridazin-3-amine
CID 61412034
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119002
6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 61411567
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
6-[ethyl-[(4-methoxyphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133384179
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide (CID 133313290) is 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide is Cc1ccccc1CN(C)c1ccc(C(=O)Nc2ccccc2)nn1.
What is the InChIKey of 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is CXWJDQUATZBZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-8-6-7-9-16(15)14-24(2)19-13-12-18(22-23-19)20(25)21-17-10-4-3-5-11-17/h3-13H,14H2,1-2H3,(H,21,25).
What are the key properties of 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide?
6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).