1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide

C20H20N4O2 — CID 51101922

IUPAC1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide
SMILESCN(Cn1nc(C(N)=O)ccc1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-23(14-24-18(25)13-12-17(22-24)20(21)26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3,(H2,21,26)
InChIKeyIEOJTURTIUBWTE-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.02
Rot. Bonds6

About 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide

1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 51101922) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide
PubChem CID51101922
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide
SMILESCN(Cn1nc(C(N)=O)ccc1=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20N4O2/c1-23(14-24-18(25)13-12-17(22-24)20(21)26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3,(H2,21,26)
InChIKeyIEOJTURTIUBWTE-UHFFFAOYSA-N
XLogP2.02
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-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

2-[[benzhydryl(methyl)amino]methyl]-4,5-dichloropyridazin-3-one
CID 18149973
N-(2-amino-2-oxo-1-phenylethyl)-1-benzyl-6-oxopyridazine-3-carboxamide
CID 51308720
6-oxo-1-prop-2-ynylpyridazine-3-carboxamide
CID 142789345
1-(2-tert-butylsulfanylethyl)-6-oxopyridazine-3-carboxamide
CID 167800499
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47072597
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]acetamide
CID 8693314
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913
1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210
N-(4-benzhydrylpiperazin-1-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 39969601
2-[[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]methyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one
CID 33487672

Frequently Asked Questions

What is the IUPAC name of 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide (CID 51101922) is 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide is CN(Cn1nc(C(N)=O)ccc1=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is IEOJTURTIUBWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23(14-24-18(25)13-12-17(22-24)20(21)26)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3,(H2,21,26).
What are the key properties of 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide?
1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[benzhydryl(methyl)amino]methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51101922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).