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

C17H18N4O2 — CID 17475495

IUPAC4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2nnc3ccccn23)cc1
InChIInChI=1S/C17H18N4O2/c1-2-23-14-8-6-13(7-9-14)17(22)18-11-10-16-20-19-15-5-3-4-12-21(15)16/h3-9,12H,2,10-11H2,1H3,(H,18,22)
InChIKeyBEAQRKWMPJTMTR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.10
Rot. Bonds6

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

4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 17475495) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID17475495
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2nnc3ccccn23)cc1
InChIInChI=1S/C17H18N4O2/c1-2-23-14-8-6-13(7-9-14)17(22)18-11-10-16-20-19-15-5-3-4-12-21(15)16/h3-9,12H,2,10-11H2,1H3,(H,18,22)
InChIKeyBEAQRKWMPJTMTR-UHFFFAOYSA-N
XLogP2.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51208285
6-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474315
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
5-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-2,5-dicarboxamide
CID 86858578
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
ethyl N-[3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]carbamate
CID 42025017
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
3-phenylmethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 78810194
4-(2-ethoxyphenoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 51208266
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 17475495) is 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCc2nnc3ccccn23)cc1.
What is the InChIKey of 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is BEAQRKWMPJTMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-23-14-8-6-13(7-9-14)17(22)18-11-10-16-20-19-15-5-3-4-12-21(15)16/h3-9,12H,2,10-11H2,1H3,(H,18,22).
What are the key properties of 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 310.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 17475495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).