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

C20H21N5O2 — CID 71704732

IUPAC1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide
SMILESCOCCn1c(C(=O)NCCc2nnc3ccccn23)cc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-27-13-12-24-16-7-3-2-6-15(16)14-17(24)20(26)21-10-9-19-23-22-18-8-4-5-11-25(18)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,26)
InChIKeyYRLYUXFBYVOONJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.30
Rot. Bonds7

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

1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide (PubChem CID 71704732) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide
PubChem CID71704732
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide
SMILESCOCCn1c(C(=O)NCCc2nnc3ccccn23)cc2ccccc21
InChIInChI=1S/C20H21N5O2/c1-27-13-12-24-16-7-3-2-6-15(16)14-17(24)20(26)21-10-9-19-23-22-18-8-4-5-11-25(18)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,26)
InChIKeyYRLYUXFBYVOONJ-UHFFFAOYSA-N
XLogP2.30
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-2-carboxamide
CID 17446662
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
2-propyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazole-3-carboxamide
CID 91947366
2,5-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 24535728
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 17449846
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
4-ethoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17475495
4-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17480770
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-3-carboxamide
CID 46516662
5-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]furan-2-carboxamide
CID 23474329

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide (CID 71704732) is 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide is COCCn1c(C(=O)NCCc2nnc3ccccn23)cc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide?
The InChIKey is YRLYUXFBYVOONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-13-12-24-16-7-3-2-6-15(16)14-17(24)20(26)21-10-9-19-23-22-18-8-4-5-11-25(18)19/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,26).
What are the key properties of 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide?
1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 71704732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).