6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide

C16H12BrN3O — CID 106832306

IUPAC6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCc1cccnn1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H12BrN3O/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(21)18-10-15-2-1-7-19-20-15/h1-9H,10H2,(H,18,21)
InChIKeyHWZLVBAWWJMBOM-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.32
Rot. Bonds3

About 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide

6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide (PubChem CID 106832306) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
PubChem CID106832306
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
SMILESO=C(NCc1cccnn1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H12BrN3O/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(21)18-10-15-2-1-7-19-20-15/h1-9H,10H2,(H,18,21)
InChIKeyHWZLVBAWWJMBOM-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 106896145
6-bromo-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106832234
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106832257
2-amino-5-bromo-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897715
N-(3-amino-3-oxopropyl)-6-bromonaphthalene-2-carboxamide
CID 91636090
3-bromo-N-(pyridazin-3-ylmethyl)thiophene-2-carboxamide
CID 106832316
6-bromo-N-(2,3-dimethylbutyl)naphthalene-2-carboxamide
CID 115354023
2-ethyl-6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106897765

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide (CID 106832306) is 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide is O=C(NCc1cccnn1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is HWZLVBAWWJMBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-14-6-5-11-8-13(4-3-12(11)9-14)16(21)18-10-15-2-1-7-19-20-15/h1-9H,10H2,(H,18,21).
What are the key properties of 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide?
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 342.20 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 106832306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).