N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide

C22H24N4O2 — CID 109119063

IUPACN-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
SMILESCOc1ccccc1CCNc1ccc(C(=O)N(C)Cc2ccccc2)nn1
InChIInChI=1S/C22H24N4O2/c1-26(16-17-8-4-3-5-9-17)22(27)19-12-13-21(25-24-19)23-15-14-18-10-6-7-11-20(18)28-2/h3-13H,14-16H2,1-2H3,(H,23,25)
InChIKeyRNLYIJNQZRCCDT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.41
Rot. Bonds8

About N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide

N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 109119063) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
PubChem CID109119063
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
SMILESCOc1ccccc1CCNc1ccc(C(=O)N(C)Cc2ccccc2)nn1
InChIInChI=1S/C22H24N4O2/c1-26(16-17-8-4-3-5-9-17)22(27)19-12-13-21(25-24-19)23-15-14-18-10-6-7-11-20(18)28-2/h3-13H,14-16H2,1-2H3,(H,23,25)
InChIKeyRNLYIJNQZRCCDT-UHFFFAOYSA-N
XLogP3.41
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210892
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109122262
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109097655
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
CID 109305113
N-[2-(2-methoxyphenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110227
N-benzyl-N-ethyl-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109157599
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109113526
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide (CID 109119063) is N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide is COc1ccccc1CCNc1ccc(C(=O)N(C)Cc2ccccc2)nn1.
What is the InChIKey of N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is RNLYIJNQZRCCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(16-17-8-4-3-5-9-17)22(27)19-12-13-21(25-24-19)23-15-14-18-10-6-7-11-20(18)28-2/h3-13H,14-16H2,1-2H3,(H,23,25).
What are the key properties of N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide?
N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109119063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).