N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide

C21H22N4O — CID 109119106

IUPACN-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
SMILESCCc1ccccc1Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1
InChIInChI=1S/C21H22N4O/c1-3-17-11-7-8-12-18(17)22-20-14-13-19(23-24-20)21(26)25(2)15-16-9-5-4-6-10-16/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyXFJLCYPCSHVUFO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.05
Rot. Bonds6

About N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide

N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide (PubChem CID 109119106) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
PubChem CID109119106
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
SMILESCCc1ccccc1Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1
InChIInChI=1S/C21H22N4O/c1-3-17-11-7-8-12-18(17)22-20-14-13-19(23-24-20)21(26)25(2)15-16-9-5-4-6-10-16/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyXFJLCYPCSHVUFO-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109119135
6-(2-ethylanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126232
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
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-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide (CID 109119106) is N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide is CCc1ccccc1Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide?
The InChIKey is XFJLCYPCSHVUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-17-11-7-8-12-18(17)22-20-14-13-19(23-24-20)21(26)25(2)15-16-9-5-4-6-10-16/h4-14H,3,15H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide?
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109119106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).