N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide

C21H21FN4O — CID 113044463

IUPACN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C21H21FN4O/c1-15(2)26(14-16-6-4-3-5-7-16)20-13-12-19(24-25-20)23-21(27)17-8-10-18(22)11-9-17/h3-13,15H,14H2,1-2H3,(H,23,24,27)
InChIKeyAOXOWDFTFULWTE-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.28
Rot. Bonds6

About N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide

N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide (PubChem CID 113044463) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide
PubChem CID113044463
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)nn1
InChIInChI=1S/C21H21FN4O/c1-15(2)26(14-16-6-4-3-5-7-16)20-13-12-19(24-25-20)23-21(27)17-8-10-18(22)11-9-17/h3-13,15H,14H2,1-2H3,(H,23,24,27)
InChIKeyAOXOWDFTFULWTE-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
CID 113044450
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113044456
N-[6-[benzyl(methyl)amino]pyridazin-3-yl]-4-methylbenzamide
CID 113041264
1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
CID 113044481
4-fluoro-N-[6-(2-phenylethylamino)pyridazin-3-yl]benzamide
CID 113042326
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide (CID 113044463) is N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide is CC(C)N(Cc1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)nn1.
What is the InChIKey of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide?
The InChIKey is AOXOWDFTFULWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-15(2)26(14-16-6-4-3-5-7-16)20-13-12-19(24-25-20)23-21(27)17-8-10-18(22)11-9-17/h3-13,15H,14H2,1-2H3,(H,23,24,27).
What are the key properties of N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide?
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide has a molecular weight of 364.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 113044463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).