5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C11H12FN5O — CID 114034924

IUPAC5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H12FN5O/c1-13-10-9(3-7(12)4-14-10)11(18)16-8-5-15-17(2)6-8/h3-6H,1-2H3,(H,13,14)(H,16,18)
InChIKeyAGSOVPMUPJMQEE-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.25
Rot. Bonds3

About 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 114034924) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID114034924
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCNc1ncc(F)cc1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H12FN5O/c1-13-10-9(3-7(12)4-14-10)11(18)16-8-5-15-17(2)6-8/h3-6H,1-2H3,(H,13,14)(H,16,18)
InChIKeyAGSOVPMUPJMQEE-UHFFFAOYSA-N
XLogP1.25
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 114034924) is 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is CNc1ncc(F)cc1C(=O)Nc1cnn(C)c1.
What is the InChIKey of 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is AGSOVPMUPJMQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-13-10-9(3-7(12)4-14-10)11(18)16-8-5-15-17(2)6-8/h3-6H,1-2H3,(H,13,14)(H,16,18).
What are the key properties of 5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
5-fluoro-2-(methylamino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.25, 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-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114034924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).