3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide

C13H16FN5O — CID 105384065

IUPAC3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2ccnn2C(C)C)c1F
InChIInChI=1S/C13H16FN5O/c1-8(2)19-10(5-7-17-19)18-13(20)9-4-6-16-12(15-3)11(9)14/h4-8H,1-3H3,(H,15,16)(H,18,20)
InChIKeyVZBGTDYJCLJGOB-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.29
Rot. Bonds4

About 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide

3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 105384065) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID105384065
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)Nc2ccnn2C(C)C)c1F
InChIInChI=1S/C13H16FN5O/c1-8(2)19-10(5-7-17-19)18-13(20)9-4-6-16-12(15-3)11(9)14/h4-8H,1-3H3,(H,15,16)(H,18,20)
InChIKeyVZBGTDYJCLJGOB-UHFFFAOYSA-N
XLogP2.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trifluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 63188295
2-fluoro-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 79777050
4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 112702320
5-bromo-2-fluoro-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 24695142
5-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 104639716
N-(2,3-difluorophenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385160
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
3-fluoro-2-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 105384003
3-fluoro-2-(methylamino)-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105387045
3-fluoro-2-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105385432
2,4-dihydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 103606134
5-amino-1-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-carboxamide
CID 75438362

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide (CID 105384065) is 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide is CNc1nccc(C(=O)Nc2ccnn2C(C)C)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is VZBGTDYJCLJGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-8(2)19-10(5-7-17-19)18-13(20)9-4-6-16-12(15-3)11(9)14/h4-8H,1-3H3,(H,15,16)(H,18,20).
What are the key properties of 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105384065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).