6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide

C15H10BrN3O2 — CID 116787217

IUPAC6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H10BrN3O2/c16-12-4-3-9-7-11(2-1-10(9)8-12)15(21)17-13-5-6-14(20)19-18-13/h1-8H,(H,19,20)(H,17,18,21)
InChIKeyCDROWQVSGCPVAW-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.94
Rot. Bonds2

About 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide

6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide (PubChem CID 116787217) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide
PubChem CID116787217
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H10BrN3O2/c16-12-4-3-9-7-11(2-1-10(9)8-12)15(21)17-13-5-6-14(20)19-18-13/h1-8H,(H,19,20)(H,17,18,21)
InChIKeyCDROWQVSGCPVAW-UHFFFAOYSA-N
XLogP2.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 114020151
N-(6-oxo-1H-pyridazin-3-yl)-1H-indazole-6-carboxamide
CID 116787487
6-bromo-N-(4-bromo-2-pyridinyl)naphthalene-2-carboxamide
CID 102820628
4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
CID 116787203
4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786641
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786983
2-bromo-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787216
2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787212
N-(6-oxo-1H-pyridazin-3-yl)-3-(piperidine-1-carbonyl)benzamide
CID 146105541
(E)-3-[4-[(6-oxo-1H-pyridazin-3-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 116787743

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide?
The IUPAC name of 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide (CID 116787217) is 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide is O=C(Nc1ccc(=O)[nH]n1)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide?
The InChIKey is CDROWQVSGCPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-12-4-3-9-7-11(2-1-10(9)8-12)15(21)17-13-5-6-14(20)19-18-13/h1-8H,(H,19,20)(H,17,18,21).
What are the key properties of 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide?
6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide has a molecular weight of 344.17 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 116787217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).