3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide

C12H11BrN4O — CID 106894619

IUPAC3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2cccnn2)ccc1Br
InChIInChI=1S/C12H11BrN4O/c13-10-4-3-8(6-11(10)14)12(18)15-7-9-2-1-5-16-17-9/h1-6H,7,14H2,(H,15,18)
InChIKeyBRRACSOHGXPSAZ-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.75
Rot. Bonds3

About 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide

3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide (PubChem CID 106894619) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
PubChem CID106894619
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2cccnn2)ccc1Br
InChIInChI=1S/C12H11BrN4O/c13-10-4-3-8(6-11(10)14)12(18)15-7-9-2-1-5-16-17-9/h1-6H,7,14H2,(H,15,18)
InChIKeyBRRACSOHGXPSAZ-UHFFFAOYSA-N
XLogP1.75
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 114194058
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106896145
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
2-[4-[[(3-amino-4-bromobenzoyl)amino]methyl]triazol-1-yl]acetic acid
CID 107813286

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide (CID 106894619) is 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide is Nc1cc(C(=O)NCc2cccnn2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide?
The InChIKey is BRRACSOHGXPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-10-4-3-8(6-11(10)14)12(18)15-7-9-2-1-5-16-17-9/h1-6H,7,14H2,(H,15,18).
What are the key properties of 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide?
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide has a molecular weight of 307.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 106894619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).