5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide

C11H10BrN5O2 — CID 116788035

IUPAC5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H10BrN5O2/c1-13-10-7(4-6(12)5-14-10)11(19)15-8-2-3-9(18)17-16-8/h2-5H,1H3,(H,13,14)(H,17,18)(H,15,16,19)
InChIKeyJRWZNSQRHSFXDL-UHFFFAOYSA-N
MW324.14 g/mol
LogP1.22
Rot. Bonds3

About 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide

5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide (PubChem CID 116788035) has the molecular formula C11H10BrN5O2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
PubChem CID116788035
Molecular FormulaC11H10BrN5O2
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
SMILESCNc1ncc(Br)cc1C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H10BrN5O2/c1-13-10-7(4-6(12)5-14-10)11(19)15-8-2-3-9(18)17-16-8/h2-5H,1H3,(H,13,14)(H,17,18)(H,15,16,19)
InChIKeyJRWZNSQRHSFXDL-UHFFFAOYSA-N
XLogP1.22
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 55132805
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 114020151
3-fluoro-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
CID 105387664
5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
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
5-bromo-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
CID 62812436
5-bromo-N-(4-bromo-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62170659
5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166736
5-bromo-N-(4-bromo-2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62167546
5-bromo-N-(2-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62165434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide (CID 116788035) is 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide is CNc1ncc(Br)cc1C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide?
The InChIKey is JRWZNSQRHSFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2/c1-13-10-7(4-6(12)5-14-10)11(19)15-8-2-3-9(18)17-16-8/h2-5H,1H3,(H,13,14)(H,17,18)(H,15,16,19).
What are the key properties of 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide?
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide has a molecular weight of 324.14 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 116788035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).