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

C13H14F3N5O2 — CID 166369777

IUPACN-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n[nH]1
InChIInChI=1S/C13H14F3N5O2/c1-6-17-11(21-20-6)12(2,3)19-10(23)8-5-4-7(9(22)18-8)13(14,15)16/h4-5H,1-3H3,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyOWCDXLBRLZELTD-UHFFFAOYSA-N
MW329.28 g/mol
LogP1.49
Rot. Bonds3

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

N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (PubChem CID 166369777) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
PubChem CID166369777
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC NameN-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n[nH]1
InChIInChI=1S/C13H14F3N5O2/c1-6-17-11(21-20-6)12(2,3)19-10(23)8-5-4-7(9(22)18-8)13(14,15)16/h4-5H,1-3H3,(H,18,22)(H,19,23)(H,17,20,21)
InChIKeyOWCDXLBRLZELTD-UHFFFAOYSA-N
XLogP1.49
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (CID 166369777) is N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is Cc1nc(C(C)(C)NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n[nH]1.
What is the InChIKey of N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The InChIKey is OWCDXLBRLZELTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c1-6-17-11(21-20-6)12(2,3)19-10(23)8-5-4-7(9(22)18-8)13(14,15)16/h4-5H,1-3H3,(H,18,22)(H,19,23)(H,17,20,21).
What are the key properties of N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-2-yl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 166369777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).