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

C19H17FN4O2 — CID 113041679

IUPAC3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2cccc(F)c2)nn1
InChIInChI=1S/C19H17FN4O2/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)
InChIKeyMPPJEWVADJRGRZ-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.49
Rot. Bonds6

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

3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113041679) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113041679
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1ccccc1CNc1ccc(NC(=O)c2cccc(F)c2)nn1
InChIInChI=1S/C19H17FN4O2/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)
InChIKeyMPPJEWVADJRGRZ-UHFFFAOYSA-N
XLogP3.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.49
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
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
2-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041699
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
N-(2,6-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120054
1-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3-phenylurea
CID 113041714
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
3-chloro-N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041381
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356
N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348924
6-[(2-methoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109120056

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide (CID 113041679) is 3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide is COc1ccccc1CNc1ccc(NC(=O)c2cccc(F)c2)nn1.
What is the InChIKey of 3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is MPPJEWVADJRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/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-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide?
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide has a molecular weight of 352.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113041679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).