2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide

C18H19N5O2 — CID 167962205

IUPAC2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)n1cc(CC(O)c2ccccn2)nn1
InChIInChI=1S/C18H19N5O2/c19-18(25)16(10-13-6-2-1-3-7-13)23-12-14(21-22-23)11-17(24)15-8-4-5-9-20-15/h1-9,12,16-17,24H,10-11H2,(H2,19,25)
InChIKeyDXQOBKVAWSERAQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide

2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide (PubChem CID 167962205) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide
PubChem CID167962205
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)n1cc(CC(O)c2ccccn2)nn1
InChIInChI=1S/C18H19N5O2/c19-18(25)16(10-13-6-2-1-3-7-13)23-12-14(21-22-23)11-17(24)15-8-4-5-9-20-15/h1-9,12,16-17,24H,10-11H2,(H2,19,25)
InChIKeyDXQOBKVAWSERAQ-UHFFFAOYSA-N
XLogP1.22
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(1R)-1-(2,4-difluorophenyl)ethyl]triazol-4-yl]-1-pyridin-2-ylethanol
CID 167746540
methyl (2S)-3-phenyl-2-(4-propyltriazol-1-yl)propanoate
CID 102385646
1,2-dipyridin-2-ylethanol
CID 11458306
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
N-hydroxy-N-(2-phenyl-1-pyridin-2-ylethyl)acetamide
CID 88651666
3-phenyl-2-pyridin-2-ylpropan-1-ol
CID 68653958
2-[(1R)-1-bromo-2-phenylethyl]pyridine
CID 124909068
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyridin-2-ylethanol
CID 115332807
2-[1-pyridin-2-yl-2-[1-(pyridin-3-ylmethyl)triazol-4-yl]ethyl]pyridine
CID 66830045
[2-(1-methyltriazol-4-yl)-1-pyridin-2-ylethyl]hydrazine
CID 107065906
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
2-amino-3-(1-benzyltriazol-4-yl)propanoic acid
CID 24884626

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide?
The IUPAC name of 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide (CID 167962205) is 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide?
The canonical SMILES for 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)n1cc(CC(O)c2ccccn2)nn1.
What is the InChIKey of 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide?
The InChIKey is DXQOBKVAWSERAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-18(25)16(10-13-6-2-1-3-7-13)23-12-14(21-22-23)11-17(24)15-8-4-5-9-20-15/h1-9,12,16-17,24H,10-11H2,(H2,19,25).
What are the key properties of 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide?
2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide has a molecular weight of 337.38 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-pyridin-2-ylethyl)triazol-1-yl]-3-phenylpropanamide is sourced from PubChem (CID 167962205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).