3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

C18H23N5O2 — CID 127929607

IUPAC3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCCc2nnc3n2CCCC3)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C18H23N5O2/c1-11-16-12(5-4-6-13(16)24)20-17(11)18(25)19-9-8-15-22-21-14-7-2-3-10-23(14)15/h20H,2-10H2,1H3,(H,19,25)
InChIKeyQWOYGUUQYYYBJG-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.74
Rot. Bonds4

About 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 127929607) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID127929607
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)NCCc2nnc3n2CCCC3)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C18H23N5O2/c1-11-16-12(5-4-6-13(16)24)20-17(11)18(25)19-9-8-15-22-21-14-7-2-3-10-23(14)15/h20H,2-10H2,1H3,(H,19,25)
InChIKeyQWOYGUUQYYYBJG-UHFFFAOYSA-N
XLogP1.74
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide (CID 127929607) is 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)NCCc2nnc3n2CCCC3)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is QWOYGUUQYYYBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-16-12(5-4-6-13(16)24)20-17(11)18(25)19-9-8-15-22-21-14-7-2-3-10-23(14)15/h20H,2-10H2,1H3,(H,19,25).
What are the key properties of 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 127929607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).