2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide

C15H17F3N4O2 — CID 164640001

IUPAC2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C15H17F3N4O2/c1-7-5-10(6-11(23)19-7)14(24)20-13(15(16,17)18)12-8(2)21-22(4)9(12)3/h5-6,13H,1-4H3,(H,19,23)(H,20,24)/t13-/m1/s1
InChIKeyQOOSGAZAQQEKFS-CYBMUJFWSA-N
MW342.32 g/mol
LogP2.07
Rot. Bonds3

About 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide

2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide (PubChem CID 164640001) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide
PubChem CID164640001
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C15H17F3N4O2/c1-7-5-10(6-11(23)19-7)14(24)20-13(15(16,17)18)12-8(2)21-22(4)9(12)3/h5-6,13H,1-4H3,(H,19,23)(H,20,24)/t13-/m1/s1
InChIKeyQOOSGAZAQQEKFS-CYBMUJFWSA-N
XLogP2.07
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide (CID 164640001) is 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide?
The InChIKey is QOOSGAZAQQEKFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-7-5-10(6-11(23)19-7)14(24)20-13(15(16,17)18)12-8(2)21-22(4)9(12)3/h5-6,13H,1-4H3,(H,19,23)(H,20,24)/t13-/m1/s1.
What are the key properties of 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide?
2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 164640001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).