N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide

C20H20N4O — CID 113041264

IUPACN-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N(C)Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O/c1-15-8-10-17(11-9-15)20(25)21-18-12-13-19(23-22-18)24(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,22,25)
InChIKeyDVJXABLQONLOSN-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.67
Rot. Bonds5

About N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide

N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide (PubChem CID 113041264) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
PubChem CID113041264
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N(C)Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O/c1-15-8-10-17(11-9-15)20(25)21-18-12-13-19(23-22-18)24(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,22,25)
InChIKeyDVJXABLQONLOSN-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

ethyl N-[6-[benzyl(methyl)amino]pyridazin-3-yl]carbamate
CID 113041308
4-methyl-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042323
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide
CID 113044463
4-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044092
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-4-methylbenzamide
CID 113012579
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
N-[6-[benzyl(ethyl)amino]pyridazin-3-yl]-2-chlorobenzamide
CID 113041914
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 113041329
3,4-dimethyl-N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]benzamide
CID 113042844
6-[benzyl(methyl)amino]-N-quinolin-3-ylpyridine-3-carboxamide
CID 10451671
3-benzamido-4-[benzyl(methyl)amino]benzoic acid
CID 53053003

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide?
The IUPAC name of N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide (CID 113041264) is N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N(C)Cc3ccccc3)nn2)cc1.
What is the InChIKey of N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide?
The InChIKey is DVJXABLQONLOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-8-10-17(11-9-15)20(25)21-18-12-13-19(23-22-18)24(2)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,21,22,25).
What are the key properties of N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide?
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide 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 N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide is sourced from PubChem (CID 113041264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).