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

C11H10F3N5O2 — CID 167786478

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H10F3N5O2/c1-19-5-17-18-8(19)4-16-10(21)7-2-6(11(12,13)14)3-15-9(7)20/h2-3,5H,4H2,1H3,(H,15,20)(H,16,21)
InChIKeyGZAHDHPKWWREBM-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.45
Rot. Bonds3

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 167786478) has the molecular formula C11H10F3N5O2 and a molecular weight of 301.23 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID167786478
Molecular FormulaC11H10F3N5O2
Molecular Weight301.23 g/mol
Exact Mass301.08
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCn1cnnc1CNC(=O)c1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H10F3N5O2/c1-19-5-17-18-8(19)4-16-10(21)7-2-6(11(12,13)14)3-15-9(7)20/h2-3,5H,4H2,1H3,(H,15,20)(H,16,21)
InChIKeyGZAHDHPKWWREBM-UHFFFAOYSA-N
XLogP0.45
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 167786478) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cn1cnnc1CNC(=O)c1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GZAHDHPKWWREBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O2/c1-19-5-17-18-8(19)4-16-10(21)7-2-6(11(12,13)14)3-15-9(7)20/h2-3,5H,4H2,1H3,(H,15,20)(H,16,21).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 301.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 167786478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).