N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide

C14H13FN4O — CID 113038054

IUPACN-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(NC2CC2)nn1)c1ccccc1F
InChIInChI=1S/C14H13FN4O/c15-11-4-2-1-3-10(11)14(20)17-13-8-7-12(18-19-13)16-9-5-6-9/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19,20)
InChIKeyOPVQFFFCOVMJCX-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.44
Rot. Bonds4

About N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide

N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide (PubChem CID 113038054) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
PubChem CID113038054
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC NameN-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(NC2CC2)nn1)c1ccccc1F
InChIInChI=1S/C14H13FN4O/c15-11-4-2-1-3-10(11)14(20)17-13-8-7-12(18-19-13)16-9-5-6-9/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19,20)
InChIKeyOPVQFFFCOVMJCX-UHFFFAOYSA-N
XLogP2.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
2-fluoro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113039196
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038098
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038059
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113038053
2-(4-chlorophenyl)-N-[6-(cyclopropylamino)pyridazin-3-yl]acetamide
CID 113038076
4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038068
N-[6-(butylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038324
N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-2-fluorobenzamide
CID 113041609
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide (CID 113038054) is N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide is O=C(Nc1ccc(NC2CC2)nn1)c1ccccc1F.
What is the InChIKey of N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide?
The InChIKey is OPVQFFFCOVMJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-11-4-2-1-3-10(11)14(20)17-13-8-7-12(18-19-13)16-9-5-6-9/h1-4,7-9H,5-6H2,(H,16,18)(H,17,19,20).
What are the key properties of N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide?
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide has a molecular weight of 272.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 113038054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).