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

C17H14N6O2 — CID 51087367

IUPAC2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O2/c1-11(25-14-8-3-2-6-12(14)10-18)16(24)21-17-20-15(22-23-17)13-7-4-5-9-19-13/h2-9,11H,1H3,(H2,20,21,22,23,24)
InChIKeyKRCTWADXMFOYKJ-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.14
Rot. Bonds5

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

2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 51087367) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID51087367
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C17H14N6O2/c1-11(25-14-8-3-2-6-12(14)10-18)16(24)21-17-20-15(22-23-17)13-7-4-5-9-19-13/h2-9,11H,1H3,(H2,20,21,22,23,24)
InChIKeyKRCTWADXMFOYKJ-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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Related Compounds

2-isobutoxy-5-(5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl)benzonitrile
CID 9905684
2-(2-methoxyethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 12991045
2-(2-(2-methoxyethoxy)ethoxy)-5-(3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl)benzonitrile
CID 25181455
1-(phenoxyacetyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970599
2-(2-(2-butoxyethoxy)ethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570022
2-(2-cyano-4-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)phenoxy)acetic acid
CID 44570062
2-(2-hydroxyethoxy)-5-(5-(2-methylpyridin-4-yl)-2H-1,2,4-triazol-3-yl)benzonitrile
CID 44570063
1-[(2R)-2-[3-(2-amino-4-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689783
1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68690161
2-{3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazol-5-yl}pyridine
CID 2501099
2-[5-[(4-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 2501103
1-[(2R)-2-[3-(6-amino-3-pyridinyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 118738126

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 51087367) is 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(Oc1ccccc1C#N)C(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is KRCTWADXMFOYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-11(25-14-8-3-2-6-12(14)10-18)16(24)21-17-20-15(22-23-17)13-7-4-5-9-19-13/h2-9,11H,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
2-(2-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-(2-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 51087367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).