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

C19H17ClN4O2 — CID 113041700

IUPAC3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2cccc(Cl)c2)nn1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-8-3-2-5-14(16)12-21-17-9-10-18(24-23-17)22-19(25)13-6-4-7-15(20)11-13/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyHWWJUCJCNJJDFF-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

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

3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041700) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041700
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2cccc(Cl)c2)nn1
InChIInChI=1S/C19H17ClN4O2/c1-26-16-8-3-2-5-14(16)12-21-17-9-10-18(24-23-17)22-19(25)13-6-4-7-15(20)11-13/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyHWWJUCJCNJJDFF-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-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041381
3-chloro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982654
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
3-chloro-N-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028357
N-(5-chloro-2-methoxyphenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120023
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
3-chloro-N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]benzamide
CID 113042523
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171137
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041700) is 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide is COc1ccccc1CNc1ccc(NC(=O)c2cccc(Cl)c2)nn1.
What is the InChIKey of 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is HWWJUCJCNJJDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-16-8-3-2-5-14(16)12-21-17-9-10-18(24-23-17)22-19(25)13-6-4-7-15(20)11-13/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
3-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 3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).