6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid

C17H15N5O3 — CID 146128301

IUPAC6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC(Cn2cncn2)c2ccccc2)n1
InChIInChI=1S/C17H15N5O3/c23-16(13-7-4-8-14(20-13)17(24)25)21-15(9-22-11-18-10-19-22)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2,(H,21,23)(H,24,25)
InChIKeyZGDYRZMOKDGYSL-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.54
Rot. Bonds6

About 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid

6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 146128301) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID146128301
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NC(Cn2cncn2)c2ccccc2)n1
InChIInChI=1S/C17H15N5O3/c23-16(13-7-4-8-14(20-13)17(24)25)21-15(9-22-11-18-10-19-22)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2,(H,21,23)(H,24,25)
InChIKeyZGDYRZMOKDGYSL-UHFFFAOYSA-N
XLogP1.54
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 56827245
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CID 62304057
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 99855935
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
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3-acetamido-4-methyl-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514812
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138809256
3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514811
2-cyclohexylidene-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]acetamide
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N'-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]-N-quinolin-8-yloxamide
CID 71907555
N-[3-oxo-3-[[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]amino]propyl]-1H-indole-3-carboxamide
CID 95353191
N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 97140479
2-(hydroxymethyl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 111428221

Frequently Asked Questions

What is the IUPAC name of 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid (CID 146128301) is 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NC(Cn2cncn2)c2ccccc2)n1.
What is the InChIKey of 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZGDYRZMOKDGYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c23-16(13-7-4-8-14(20-13)17(24)25)21-15(9-22-11-18-10-19-22)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2,(H,21,23)(H,24,25).
What are the key properties of 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid?
6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 337.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 146128301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).