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

C16H21N5O2 — CID 32856449

IUPAC2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESO=C(CN1CCCCCC1=O)NCCc1nnc2ccccn12
InChIInChI=1S/C16H21N5O2/c22-15(12-20-10-4-1-2-7-16(20)23)17-9-8-14-19-18-13-6-3-5-11-21(13)14/h3,5-6,11H,1-2,4,7-10,12H2,(H,17,22)
InChIKeyCTWREDHTFMDFNK-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.79
Rot. Bonds5

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

2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 32856449) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
PubChem CID32856449
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
SMILESO=C(CN1CCCCCC1=O)NCCc1nnc2ccccn12
InChIInChI=1S/C16H21N5O2/c22-15(12-20-10-4-1-2-7-16(20)23)17-9-8-14-19-18-13-6-3-5-11-21(13)14/h3,5-6,11H,1-2,4,7-10,12H2,(H,17,22)
InChIKeyCTWREDHTFMDFNK-UHFFFAOYSA-N
XLogP0.79
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide with MolForge

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Related Compounds

3-cyclohexyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 31618840
2-(azepan-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 131897084
N-[2-oxo-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]ethyl]cyclopropanecarboxamide
CID 91947438
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
N-(2-naphthalen-1-ylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78865136
2-[1-(pyrrol-1-ylmethyl)cyclohexyl]-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 125432201
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
2-(4-ethylpiperazin-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 131926706
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
1-(aminomethyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 81494211
2-(4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 27161874
2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 122142659

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 32856449) is 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is O=C(CN1CCCCCC1=O)NCCc1nnc2ccccn12.
What is the InChIKey of 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
The InChIKey is CTWREDHTFMDFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-15(12-20-10-4-1-2-7-16(20)23)17-9-8-14-19-18-13-6-3-5-11-21(13)14/h3,5-6,11H,1-2,4,7-10,12H2,(H,17,22).
What are the key properties of 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?
2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 32856449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).