6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide

C18H16F3N5O2 — CID 58243764

IUPAC6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide
SMILESC[C@H](Oc1cccc(C(N)=O)n1)c1nnc(-c2ccccc2C(F)(F)F)n1C
InChIInChI=1S/C18H16F3N5O2/c1-10(28-14-9-5-8-13(23-14)15(22)27)16-24-25-17(26(16)2)11-6-3-4-7-12(11)18(19,20)21/h3-10H,1-2H3,(H2,22,27)/t10-/m0/s1
InChIKeyORSRFVVNYGEDDW-JTQLQIEISA-N
MW391.35 g/mol
LogP3.13
Rot. Bonds5

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

6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide (PubChem CID 58243764) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide
PubChem CID58243764
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide
SMILESC[C@H](Oc1cccc(C(N)=O)n1)c1nnc(-c2ccccc2C(F)(F)F)n1C
InChIInChI=1S/C18H16F3N5O2/c1-10(28-14-9-5-8-13(23-14)15(22)27)16-24-25-17(26(16)2)11-6-3-4-7-12(11)18(19,20)21/h3-10H,1-2H3,(H2,22,27)/t10-/m0/s1
InChIKeyORSRFVVNYGEDDW-JTQLQIEISA-N
XLogP3.13
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide?
The IUPAC name of 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide (CID 58243764) is 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide is C[C@H](Oc1cccc(C(N)=O)n1)c1nnc(-c2ccccc2C(F)(F)F)n1C.
What is the InChIKey of 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide?
The InChIKey is ORSRFVVNYGEDDW-JTQLQIEISA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-10(28-14-9-5-8-13(23-14)15(22)27)16-24-25-17(26(16)2)11-6-3-4-7-12(11)18(19,20)21/h3-10H,1-2H3,(H2,22,27)/t10-/m0/s1.
What are the key properties of 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide?
6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 58243764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).