3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

C17H22N4O2 — CID 71687139

IUPAC3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C17H22N4O2/c1-23-14-7-3-2-6-13(14)9-10-17(22)18-12-16-20-19-15-8-4-5-11-21(15)16/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,22)
InChIKeyIBNJYSKFPQZMRN-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.87
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide

3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (PubChem CID 71687139) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
PubChem CID71687139
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1nnc2n1CCCC2
InChIInChI=1S/C17H22N4O2/c1-23-14-7-3-2-6-13(14)9-10-17(22)18-12-16-20-19-15-8-4-5-11-21(15)16/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,22)
InChIKeyIBNJYSKFPQZMRN-UHFFFAOYSA-N
XLogP1.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide (CID 71687139) is 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is COc1ccccc1CCC(=O)NCc1nnc2n1CCCC2.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
The InChIKey is IBNJYSKFPQZMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-14-7-3-2-6-13(14)9-10-17(22)18-12-16-20-19-15-8-4-5-11-21(15)16/h2-3,6-7H,4-5,8-12H2,1H3,(H,18,22).
What are the key properties of 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide?
3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide has a molecular weight of 314.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 71687139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).