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

C10H8F3N5O3 — CID 83097556

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1
InChIInChI=1S/C10H8F3N5O3/c1-21-9-16-8(17-18-9)15-7(20)4-2-3-5(10(11,12)13)14-6(4)19/h2-3H,1H3,(H,14,19)(H2,15,16,17,18,20)
InChIKeyMKTACOSDFNCJON-UHFFFAOYSA-N
MW303.20 g/mol
LogP0.77
Rot. Bonds3

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 83097556) has the molecular formula C10H8F3N5O3 and a molecular weight of 303.20 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID83097556
Molecular FormulaC10H8F3N5O3
Molecular Weight303.20 g/mol
Exact Mass303.06
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1
InChIInChI=1S/C10H8F3N5O3/c1-21-9-16-8(17-18-9)15-7(20)4-2-3-5(10(11,12)13)14-6(4)19/h2-3H,1H3,(H,14,19)(H2,15,16,17,18,20)
InChIKeyMKTACOSDFNCJON-UHFFFAOYSA-N
XLogP0.77
TPSA112.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 83097556) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1n[nH]c(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MKTACOSDFNCJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N5O3/c1-21-9-16-8(17-18-9)15-7(20)4-2-3-5(10(11,12)13)14-6(4)19/h2-3H,1H3,(H,14,19)(H2,15,16,17,18,20).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 303.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 83097556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).