N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide

C21H22N4O — CID 109118695

IUPACN-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-16(18-11-7-4-8-12-18)22-20-14-13-19(23-24-20)21(26)25(2)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,22,24)
InChIKeyXYLLZUYZCDVCFL-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.92
Rot. Bonds6

About N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide

N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide (PubChem CID 109118695) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
PubChem CID109118695
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-16(18-11-7-4-8-12-18)22-20-14-13-19(23-24-20)21(26)25(2)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,22,24)
InChIKeyXYLLZUYZCDVCFL-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109115961
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109119135
N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118581
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
N-ethyl-N-(3-methylphenyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118810
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109124715

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide (CID 109118695) is N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide is CC(Nc1ccc(C(=O)N(C)Cc2ccccc2)nn1)c1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The InChIKey is XYLLZUYZCDVCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16(18-11-7-4-8-12-18)22-20-14-13-19(23-24-20)21(26)25(2)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide?
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.92, 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-(1-phenylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109118695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).