6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

C25H26N8O5 — CID 164957149

IUPAC6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESC=C1CCC(n2nc3ccc(C)cn3c2=O)C(=O)N1.Cc1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1
InChIInChI=1S/C13H14N4O2.C12H12N4O3/c1-8-3-6-11-15-17(13(19)16(11)7-8)10-5-4-9(2)14-12(10)18;1-7-4-5-15-9(6-7)14-16(12(15)19)8-2-3-10(17)13-11(8)18/h3,6-7,10H,2,4-5H2,1H3,(H,14,18);4-6,8H,2-3H2,1H3,(H,13,17,18)
InChIKeyBIGLPCHTPVNCFW-UHFFFAOYSA-N
MW518.53 g/mol
LogP0.55
Rot. Bonds2

About 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione

6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (PubChem CID 164957149) has the molecular formula C25H26N8O5 and a molecular weight of 518.53 g/mol. Its IUPAC name is 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
PubChem CID164957149
Molecular FormulaC25H26N8O5
Molecular Weight518.53 g/mol
Exact Mass518.20
IUPAC Name6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione
SMILESC=C1CCC(n2nc3ccc(C)cn3c2=O)C(=O)N1.Cc1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1
InChIInChI=1S/C13H14N4O2.C12H12N4O3/c1-8-3-6-11-15-17(13(19)16(11)7-8)10-5-4-9(2)14-12(10)18;1-7-4-5-15-9(6-7)14-16(12(15)19)8-2-3-10(17)13-11(8)18/h3,6-7,10H,2,4-5H2,1H3,(H,14,18);4-6,8H,2-3H2,1H3,(H,13,17,18)
InChIKeyBIGLPCHTPVNCFW-UHFFFAOYSA-N
XLogP0.55
TPSA153.87 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.53
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The IUPAC name of 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione (CID 164957149) is 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The canonical SMILES for 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is C=C1CCC(n2nc3ccc(C)cn3c2=O)C(=O)N1.Cc1ccn2c(=O)n(C3CCC(=O)NC3=O)nc2c1.
What is the InChIKey of 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
The InChIKey is BIGLPCHTPVNCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2.C12H12N4O3/c1-8-3-6-11-15-17(13(19)16(11)7-8)10-5-4-9(2)14-12(10)18;1-7-4-5-15-9(6-7)14-16(12(15)19)8-2-3-10(17)13-11(8)18/h3,6-7,10H,2,4-5H2,1H3,(H,14,18);4-6,8H,2-3H2,1H3,(H,13,17,18).
What are the key properties of 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione?
6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione has a molecular weight of 518.53 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one;3-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 164957149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).