N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C15H15F3N4O2 — CID 128986100

IUPACN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H15F3N4O2/c1-22-6-5-19-13(22)12-10(4-7-24-12)21-14(23)9-2-3-11(20-8-9)15(16,17)18/h2-3,5-6,8,10,12H,4,7H2,1H3,(H,21,23)/t10-,12-/m0/s1
InChIKeyXWCHXTAKOPXDEY-JQWIXIFHSA-N
MW340.31 g/mol
LogP2.09
Rot. Bonds3

About N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 128986100) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID128986100
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H15F3N4O2/c1-22-6-5-19-13(22)12-10(4-7-24-12)21-14(23)9-2-3-11(20-8-9)15(16,17)18/h2-3,5-6,8,10,12H,4,7H2,1H3,(H,21,23)/t10-,12-/m0/s1
InChIKeyXWCHXTAKOPXDEY-JQWIXIFHSA-N
XLogP2.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 128986100) is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XWCHXTAKOPXDEY-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-22-6-5-19-13(22)12-10(4-7-24-12)21-14(23)9-2-3-11(20-8-9)15(16,17)18/h2-3,5-6,8,10,12H,4,7H2,1H3,(H,21,23)/t10-,12-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 128986100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).