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

C11H10F3N5O2 — CID 103741590

IUPAC2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ncn[nH]1
InChIInChI=1S/C11H10F3N5O2/c1-5(8-15-4-16-19-8)17-9(20)6-2-3-7(11(12,13)14)18-10(6)21/h2-5H,1H3,(H,17,20)(H,18,21)(H,15,16,19)
InChIKeyXZTOHQMUJHQVTC-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.00
Rot. Bonds3

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

2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 103741590) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID103741590
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC Name2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ncn[nH]1
InChIInChI=1S/C11H10F3N5O2/c1-5(8-15-4-16-19-8)17-9(20)6-2-3-7(11(12,13)14)18-10(6)21/h2-5H,1H3,(H,17,20)(H,18,21)(H,15,16,19)
InChIKeyXZTOHQMUJHQVTC-UHFFFAOYSA-N
XLogP1.00
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-bromo-1-methyl-2-oxo-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 164639552
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60983309
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64512070
2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64529410
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 78927926
1,6-dimethyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-3-carboxamide
CID 119062845
6-methyl-2-oxo-N-{[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl}-1,2-dihydropyridine-4-carboxamide
CID 124206420
N-[2,2-difluoro-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 137982329
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166321498
N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 166369777
6-oxo-N-[1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 167889541
8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45239403

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 103741590) is 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(C(F)(F)F)[nH]c1=O)c1ncn[nH]1.
What is the InChIKey of 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is XZTOHQMUJHQVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-5(8-15-4-16-19-8)17-9(20)6-2-3-7(11(12,13)14)18-10(6)21/h2-5H,1H3,(H,17,20)(H,18,21)(H,15,16,19).
What are the key properties of 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[1-(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 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103741590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).