2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide

C16H17N5O2 — CID 17456017

IUPAC2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C16H17N5O2/c1-2-23-16-12(6-5-9-18-16)15(22)17-10-8-14-20-19-13-7-3-4-11-21(13)14/h3-7,9,11H,2,8,10H2,1H3,(H,17,22)
InChIKeyMQVLXQIHBLSWEX-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.50
Rot. Bonds6

About 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide

2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide (PubChem CID 17456017) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
PubChem CID17456017
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCc1nnc2ccccn12
InChIInChI=1S/C16H17N5O2/c1-2-23-16-12(6-5-9-18-16)15(22)17-10-8-14-20-19-13-7-3-4-11-21(13)14/h3-7,9,11H,2,8,10H2,1H3,(H,17,22)
InChIKeyMQVLXQIHBLSWEX-UHFFFAOYSA-N
XLogP1.50
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide (CID 17456017) is 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCCc1nnc2ccccn12.
What is the InChIKey of 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is MQVLXQIHBLSWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-2-23-16-12(6-5-9-18-16)15(22)17-10-8-14-20-19-13-7-3-4-11-21(13)14/h3-7,9,11H,2,8,10H2,1H3,(H,17,22).
What are the key properties of 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide?
2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 17456017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).