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

C14H19N5O2 — CID 95275092

IUPAC(2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1CCn1nc2ccccn2c1=O
InChIInChI=1S/C14H19N5O2/c15-13(20)11-5-1-3-7-17(11)9-10-19-14(21)18-8-4-2-6-12(18)16-19/h2,4,6,8,11H,1,3,5,7,9-10H2,(H2,15,20)/t11-/m0/s1
InChIKeyASGQJYJHTYENNK-NSHDSACASA-N
MW289.34 g/mol
LogP-0.16
Rot. Bonds4

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

(2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide (PubChem CID 95275092) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide
PubChem CID95275092
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCCN1CCn1nc2ccccn2c1=O
InChIInChI=1S/C14H19N5O2/c15-13(20)11-5-1-3-7-17(11)9-10-19-14(21)18-8-4-2-6-12(18)16-19/h2,4,6,8,11H,1,3,5,7,9-10H2,(H2,15,20)/t11-/m0/s1
InChIKeyASGQJYJHTYENNK-NSHDSACASA-N
XLogP-0.16
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-N-methyl-2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetamide
CID 45827021
3-(3-Oxo-6-piperazin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 134414462
3-[3-Oxo-7-(1-piperazinyl)-1,2,4-triazolo[4,3-a]pyridin-2(3H)-yl]-2,6-piperidinedione
CID 134579987
3-{7-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CID 142596935
3-{6-bromo-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}piperidine-2,6-dione
CID 142597127
3-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 146183954
3-(8-Methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 160187690
3-(7-Methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
CID 162180098
7-Methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 164955181
6-Methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 164957150
3-[8-[Bromo(methyl)amino]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]piperidine-2,6-dione
CID 175633506
1-[3-(3-Oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]pyrrolidine-2-carboxamide
CID 176026044

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide (CID 95275092) is (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide is NC(=O)[C@@H]1CCCCN1CCn1nc2ccccn2c1=O.
What is the InChIKey of (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is ASGQJYJHTYENNK-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O2/c15-13(20)11-5-1-3-7-17(11)9-10-19-14(21)18-8-4-2-6-12(18)16-19/h2,4,6,8,11H,1,3,5,7,9-10H2,(H2,15,20)/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide?
(2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 95275092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).