2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C17H14N6O2 — CID 47925593

IUPAC2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O2/c1-11(25-13-6-4-5-12(9-13)10-18)16(24)21-17-20-15(22-23-17)14-7-2-3-8-19-14/h2-9,11H,1H3,(H2,20,21,22,23,24)
InChIKeyQGUIYCYMANRFNN-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.14
Rot. Bonds5

About 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 47925593) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID47925593
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(Oc1cccc(C#N)c1)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O2/c1-11(25-13-6-4-5-12(9-13)10-18)16(24)21-17-20-15(22-23-17)14-7-2-3-8-19-14/h2-9,11H,1H3,(H2,20,21,22,23,24)
InChIKeyQGUIYCYMANRFNN-UHFFFAOYSA-N
XLogP2.14
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 47925593) is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(Oc1cccc(C#N)c1)C(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is QGUIYCYMANRFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-11(25-13-6-4-5-12(9-13)10-18)16(24)21-17-20-15(22-23-17)14-7-2-3-8-19-14/h2-9,11H,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 334.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 47925593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).