2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C11H10F3N5O2 — CID 64529410

IUPAC2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)7-2-1-6(10(21)18-7)9(20)15-4-3-8-16-5-17-19-8/h1-2,5H,3-4H2,(H,15,20)(H,18,21)(H,16,17,19)
InChIKeyYVMKQXROEHFJLW-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.48
Rot. Bonds4

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

2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 64529410) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID64529410
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H10F3N5O2/c12-11(13,14)7-2-1-6(10(21)18-7)9(20)15-4-3-8-16-5-17-19-8/h1-2,5H,3-4H2,(H,15,20)(H,18,21)(H,16,17,19)
InChIKeyYVMKQXROEHFJLW-UHFFFAOYSA-N
XLogP0.48
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 64529410) is 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCCc1ncn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YVMKQXROEHFJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c12-11(13,14)7-2-1-6(10(21)18-7)9(20)15-4-3-8-16-5-17-19-8/h1-2,5H,3-4H2,(H,15,20)(H,18,21)(H,16,17,19).
What are the key properties of 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 301.23 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 64529410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).