2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C15H16F3N5O2 — CID 167765407

IUPAC2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1CCO[C@@H]1c1ncn[nH]1
InChIInChI=1S/C15H16F3N5O2/c1-8-10(2-3-11(22-8)15(16,17)18)14(24)19-6-9-4-5-25-12(9)13-20-7-21-23-13/h2-3,7,9,12H,4-6H2,1H3,(H,19,24)(H,20,21,23)/t9-,12-/m0/s1
InChIKeyNAJNEXCIXSDWMD-CABZTGNLSA-N
MW355.32 g/mol
LogP2.03
Rot. Bonds4

About 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167765407) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID167765407
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC Name2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1CCO[C@@H]1c1ncn[nH]1
InChIInChI=1S/C15H16F3N5O2/c1-8-10(2-3-11(22-8)15(16,17)18)14(24)19-6-9-4-5-25-12(9)13-20-7-21-23-13/h2-3,7,9,12H,4-6H2,1H3,(H,19,24)(H,20,21,23)/t9-,12-/m0/s1
InChIKeyNAJNEXCIXSDWMD-CABZTGNLSA-N
XLogP2.03
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 167765407) is 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H]1CCO[C@@H]1c1ncn[nH]1.
What is the InChIKey of 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NAJNEXCIXSDWMD-CABZTGNLSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c1-8-10(2-3-11(22-8)15(16,17)18)14(24)19-6-9-4-5-25-12(9)13-20-7-21-23-13/h2-3,7,9,12H,4-6H2,1H3,(H,19,24)(H,20,21,23)/t9-,12-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S,3S)-2-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167765407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).