6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide

C20H19ClN4O — CID 109118931

IUPAC6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2Cl)nn1
InChIInChI=1S/C20H19ClN4O/c1-25(14-15-7-3-2-4-8-15)19-12-11-18(23-24-19)20(26)22-13-16-9-5-6-10-17(16)21/h2-12H,13-14H2,1H3,(H,22,26)
InChIKeyXPZSFFFDWWDVCM-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.70
Rot. Bonds6

About 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide

6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109118931) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
PubChem CID109118931
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2Cl)nn1
InChIInChI=1S/C20H19ClN4O/c1-25(14-15-7-3-2-4-8-15)19-12-11-18(23-24-19)20(26)22-13-16-9-5-6-10-17(16)21/h2-12H,13-14H2,1H3,(H,22,26)
InChIKeyXPZSFFFDWWDVCM-UHFFFAOYSA-N
XLogP3.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-4-carboxamide
CID 109170290
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119002
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
N-[(2-chlorophenyl)methyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115796
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
N-[(2-chlorophenyl)methyl]-6-(dimethylamino)pyridine-2-carboxamide
CID 84575011
6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313290

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide (CID 109118931) is 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide is CN(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2Cl)nn1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is XPZSFFFDWWDVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-25(14-15-7-3-2-4-8-15)19-12-11-18(23-24-19)20(26)22-13-16-9-5-6-10-17(16)21/h2-12H,13-14H2,1H3,(H,22,26).
What are the key properties of 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide?
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109118931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).