N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C16H15N5O2 — CID 5152637

IUPACN-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H15N5O2/c1-2-23-14-6-4-3-5-13(14)20-16(22)12-7-8-15(18-9-12)21-11-17-10-19-21/h3-11H,2H2,1H3,(H,20,22)
InChIKeyNUFQKAMPFGDRQQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.31
Rot. Bonds5

About N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 5152637) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID5152637
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C16H15N5O2/c1-2-23-14-6-4-3-5-13(14)20-16(22)12-7-8-15(18-9-12)21-11-17-10-19-21/h3-11H,2H2,1H3,(H,20,22)
InChIKeyNUFQKAMPFGDRQQ-UHFFFAOYSA-N
XLogP2.31
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 5152637) is N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is NUFQKAMPFGDRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-2-23-14-6-4-3-5-13(14)20-16(22)12-7-8-15(18-9-12)21-11-17-10-19-21/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 5152637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).