6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide

C12H11F3N4O2 — CID 164626085

IUPAC6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide
SMILESCn1cc([C@@H](NC(=O)c2cccc(=O)[nH]2)C(F)(F)F)cn1
InChIInChI=1S/C12H11F3N4O2/c1-19-6-7(5-16-19)10(12(13,14)15)18-11(21)8-3-2-4-9(20)17-8/h2-6,10H,1H3,(H,17,20)(H,18,21)/t10-/m1/s1
InChIKeyZIOGMAGOKGWLKY-SNVBAGLBSA-N
MW300.24 g/mol
LogP1.14
Rot. Bonds3

About 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide

6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide (PubChem CID 164626085) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide
PubChem CID164626085
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide
SMILESCn1cc([C@@H](NC(=O)c2cccc(=O)[nH]2)C(F)(F)F)cn1
InChIInChI=1S/C12H11F3N4O2/c1-19-6-7(5-16-19)10(12(13,14)15)18-11(21)8-3-2-4-9(20)17-8/h2-6,10H,1H3,(H,17,20)(H,18,21)/t10-/m1/s1
InChIKeyZIOGMAGOKGWLKY-SNVBAGLBSA-N
XLogP1.14
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide (CID 164626085) is 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide is Cn1cc([C@@H](NC(=O)c2cccc(=O)[nH]2)C(F)(F)F)cn1.
What is the InChIKey of 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide?
The InChIKey is ZIOGMAGOKGWLKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-19-6-7(5-16-19)10(12(13,14)15)18-11(21)8-3-2-4-9(20)17-8/h2-6,10H,1H3,(H,17,20)(H,18,21)/t10-/m1/s1.
What are the key properties of 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide?
6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 164626085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).