4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide

C14H13BrN4O — CID 113038059

IUPAC4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CC2)nn1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN4O/c15-10-3-1-9(2-4-10)14(20)17-13-8-7-12(18-19-13)16-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,16,18)(H,17,19,20)
InChIKeyRCZADPAVGHZPJR-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.07
Rot. Bonds4

About 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide

4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide (PubChem CID 113038059) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
PubChem CID113038059
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NC2CC2)nn1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrN4O/c15-10-3-1-9(2-4-10)14(20)17-13-8-7-12(18-19-13)16-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,16,18)(H,17,19,20)
InChIKeyRCZADPAVGHZPJR-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113038053
4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038068
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038098
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
3-bromo-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044378
4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
CID 113024450
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397
2-(4-chlorophenyl)-N-[6-(cyclopropylamino)pyridazin-3-yl]acetamide
CID 113038076
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
2-chloro-N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038860

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide (CID 113038059) is 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NC2CC2)nn1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide?
The InChIKey is RCZADPAVGHZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c15-10-3-1-9(2-4-10)14(20)17-13-8-7-12(18-19-13)16-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,16,18)(H,17,19,20).
What are the key properties of 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide?
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide has a molecular weight of 333.19 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113038059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).