4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide

C16H14N6O3 — CID 51096858

IUPAC4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C16H14N6O3/c17-14(24)10-4-6-11(7-5-10)25-9-13(23)19-16-20-15(21-22-16)12-3-1-2-8-18-12/h1-8H,9H2,(H2,17,24)(H2,19,20,21,22,23)
InChIKeyHYDMOCAPZBUYJO-UHFFFAOYSA-N
MW338.33 g/mol
LogP0.98
Rot. Bonds6

About 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide

4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide (PubChem CID 51096858) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide
PubChem CID51096858
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1
InChIInChI=1S/C16H14N6O3/c17-14(24)10-4-6-11(7-5-10)25-9-13(23)19-16-20-15(21-22-16)12-3-1-2-8-18-12/h1-8H,9H2,(H2,17,24)(H2,19,20,21,22,23)
InChIKeyHYDMOCAPZBUYJO-UHFFFAOYSA-N
XLogP0.98
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide (CID 51096858) is 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide?
The InChIKey is HYDMOCAPZBUYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c17-14(24)10-4-6-11(7-5-10)25-9-13(23)19-16-20-15(21-22-16)12-3-1-2-8-18-12/h1-8H,9H2,(H2,17,24)(H2,19,20,21,22,23).
What are the key properties of 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide?
4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide has a molecular weight of 338.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide is sourced from PubChem (CID 51096858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).