1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C17H17N5O — CID 644529

IUPAC1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C17H17N5O/c23-17(19-12-15-8-4-5-10-18-15)16-13-22(21-20-16)11-9-14-6-2-1-3-7-14/h1-8,10,13H,9,11-12H2,(H,19,23)
InChIKeyLEALFBGHVXXBON-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 644529) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID644529
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cn(CCc2ccccc2)nn1
InChIInChI=1S/C17H17N5O/c23-17(19-12-15-8-4-5-10-18-15)16-13-22(21-20-16)11-9-14-6-2-1-3-7-14/h1-8,10,13H,9,11-12H2,(H,19,23)
InChIKeyLEALFBGHVXXBON-UHFFFAOYSA-N
XLogP1.85
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)quinoxaline-2-carboxamide
CID 5300647
N-(1-piperidinyl)-5,6-diphenyl-2-pyrazinecarboxamide
CID 9906800
N-phenyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 10215860
5,6-Diaryl-pyrazine-2-amide derivative, 6b
CID 10309464
N-(2-phenylpropyl)quinoxaline-2-carboxamide
CID 22136331
N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134136275
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134141860
N-(4-methylbenzyl)-2-pyrazinecarboxamide
CID 897112
N-isopropyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440708
N-isopentyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440709
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
CID 155818571
N,5,6-triphenylpyrazine-2-carboxamide
CID 10236980

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 644529) is 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is O=C(NCc1ccccn1)c1cn(CCc2ccccc2)nn1.
What is the InChIKey of 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is LEALFBGHVXXBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-17(19-12-15-8-4-5-10-18-15)16-13-22(21-20-16)11-9-14-6-2-1-3-7-14/h1-8,10,13H,9,11-12H2,(H,19,23).
What are the key properties of 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 644529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).