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

C17H14N6O2 — CID 94139491

IUPAC(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O2/c1-11(25-13-7-5-12(10-18)6-8-13)16(24)21-17-20-15(22-23-17)14-4-2-3-9-19-14/h2-9,11H,1H3,(H2,20,21,22,23,24)/t11-/m1/s1
InChIKeyXXEMFJDYETXUMM-LLVKDONJSA-N
MW334.34 g/mol
LogP2.14
Rot. Bonds5

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

(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 94139491) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID94139491
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O2/c1-11(25-13-7-5-12(10-18)6-8-13)16(24)21-17-20-15(22-23-17)14-4-2-3-9-19-14/h2-9,11H,1H3,(H2,20,21,22,23,24)/t11-/m1/s1
InChIKeyXXEMFJDYETXUMM-LLVKDONJSA-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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Related Compounds

2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
(2S)-2-(4-methylphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 27446892
2-(4-cyanophenoxy)-N-(3-hydroxy-2-pyridinyl)propanamide
CID 51188816
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 94796234
N-[5-(2-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxypropanamide
CID 71545968
(2S)-2-(4-cyanophenoxy)-N-(4-pyrimidin-2-ylphenyl)propanamide
CID 95310417
3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087375
(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30866427
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 94139491) is (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is XXEMFJDYETXUMM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-11(25-13-7-5-12(10-18)6-8-13)16(24)21-17-20-15(22-23-17)14-4-2-3-9-19-14/h2-9,11H,1H3,(H2,20,21,22,23,24)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
(2R)-2-(4-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 (2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 94139491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).