1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

C17H15F3N6O2 — CID 164624399

About 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 164624399) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 164624399
• Molecular Formula: C17H15F3N6O2
• Molecular Weight: 392.34 g/mol
• Exact Mass: 392.12
• IUPAC Name: 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
• SMILES: C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccn(C)c2=O)n1)C(F)(F)F
• InChI: InChI=1S/C17H15F3N6O2/c1-10(17(18,19)20)26-9-21-24-14(26)12-6-3-7-13(22-12)23-15(27)11-5-4-8-25(2)16(11)28/h3-10H,1-2H3,(H,22,23,27)/t10-/m0/s1
• InChIKey: AOYMSJGLPMXFDW-JTQLQIEISA-N
• XLogP: 2.41
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.34
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 164624399) is 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccn(C)c2=O)n1)C(F)(F)F.

What is the InChIKey of 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?

The InChIKey is AOYMSJGLPMXFDW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-10(17(18,19)20)26-9-21-24-14(26)12-6-3-7-13(22-12)23-15(27)11-5-4-8-25(2)16(11)28/h3-10H,1-2H3,(H,22,23,27)/t10-/m0/s1.

What are the key properties of 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide?

1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 164624399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).