5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide

C11H10FN5O — CID 114035120

IUPAC5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)Nc1cccnn1
InChIInChI=1S/C11H10FN5O/c1-13-10-8(5-7(12)6-14-10)11(18)16-9-3-2-4-15-17-9/h2-6H,1H3,(H,13,14)(H,16,17,18)
InChIKeyQFDGPUQNLMTBIC-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.30
Rot. Bonds3

About 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide

5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide (PubChem CID 114035120) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide
PubChem CID114035120
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)Nc1cccnn1
InChIInChI=1S/C11H10FN5O/c1-13-10-8(5-7(12)6-14-10)11(18)16-9-3-2-4-15-17-9/h2-6H,1H3,(H,13,14)(H,16,17,18)
InChIKeyQFDGPUQNLMTBIC-UHFFFAOYSA-N
XLogP1.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-fluoro-N-pyridazin-3-ylbenzamide
CID 116786004
2-bromo-4-fluoro-N-pyridazin-3-ylbenzamide
CID 115635735
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
2-(ethylamino)-3-fluoro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 105387662
5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 114034924
2-amino-5-fluoro-3-nitro-N-pyridazin-3-ylbenzamide
CID 107123407
5-bromo-2-chloro-N-pyridazin-3-ylpyridine-3-carboxamide
CID 115635717
4-chloro-N-pyridazin-3-ylpyridine-2-carboxamide
CID 115635761
5-fluoro-2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 106262222
5-amino-2-chloro-N-pyridazin-3-ylbenzamide
CID 116786031
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
2-methyl-4-(propylamino)-N-pyridazin-3-ylbenzamide
CID 116787892

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide (CID 114035120) is 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide is CNc1ncc(F)cc1C(=O)Nc1cccnn1.
What is the InChIKey of 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide?
The InChIKey is QFDGPUQNLMTBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c1-13-10-8(5-7(12)6-14-10)11(18)16-9-3-2-4-15-17-9/h2-6H,1H3,(H,13,14)(H,16,17,18).
What are the key properties of 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide?
5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide has a molecular weight of 247.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(methylamino)-N-pyridazin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 114035120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).