2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide

C19H17ClN4O2 — CID 113041699

IUPAC2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2ccccc2Cl)nn1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-9-5-2-6-13(16)12-21-17-10-11-18(24-23-17)22-19(25)14-7-3-4-8-15(14)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyXQZIFEYHDUDLQG-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

About 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide

2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041699) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041699
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2ccccc2Cl)nn1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-9-5-2-6-13(16)12-21-17-10-11-18(24-23-17)22-19(25)14-7-3-4-8-15(14)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyXQZIFEYHDUDLQG-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
N-(3-chloro-4-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120022
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]cyclohexanecarboxamide
CID 113041668
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
6-[(2-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109120056
N-tert-butyl-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109119978
N-[6-[2-(4-chlorophenyl)ethylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043306
2-chloro-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041470
N-(2,6-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120054

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041699) is 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide is COc1ccccc1CNc1ccc(NC(=O)c2ccccc2Cl)nn1.
What is the InChIKey of 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is XQZIFEYHDUDLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-16-9-5-2-6-13(16)12-21-17-10-11-18(24-23-17)22-19(25)14-7-3-4-8-15(14)20/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide has a molecular weight of 368.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).