1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide

C13H17N5O2 — CID 42929839

IUPAC1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C13H17N5O2/c14-12(19)10-4-7-16(8-5-10)9-18-13(20)17-6-2-1-3-11(17)15-18/h1-3,6,10H,4-5,7-9H2,(H2,14,19)
InChIKeyQAODOYMGAYFRID-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.35
Rot. Bonds3

About 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide

1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 42929839) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID42929839
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C13H17N5O2/c14-12(19)10-4-7-16(8-5-10)9-18-13(20)17-6-2-1-3-11(17)15-18/h1-3,6,10H,4-5,7-9H2,(H2,14,19)
InChIKeyQAODOYMGAYFRID-UHFFFAOYSA-N
XLogP-0.35
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide (CID 42929839) is 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cn2nc3ccccn3c2=O)CC1.
What is the InChIKey of 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is QAODOYMGAYFRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-12(19)10-4-7-16(8-5-10)9-18-13(20)17-6-2-1-3-11(17)15-18/h1-3,6,10H,4-5,7-9H2,(H2,14,19).
What are the key properties of 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide?
1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42929839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).