5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one

C19H19N3O3 — CID 90627303

IUPAC5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one
SMILESCOc1cc(=O)n(-c2ccccn2)cc1C(=O)N1C2C=CCC1CC2
InChIInChI=1S/C19H19N3O3/c1-25-16-11-18(23)21(17-7-2-3-10-20-17)12-15(16)19(24)22-13-5-4-6-14(22)9-8-13/h2-5,7,10-14H,6,8-9H2,1H3
InChIKeyDFWAISYLNNKXMY-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.17
Rot. Bonds3

About 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one

5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one (PubChem CID 90627303) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one
PubChem CID90627303
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one
SMILESCOc1cc(=O)n(-c2ccccn2)cc1C(=O)N1C2C=CCC1CC2
InChIInChI=1S/C19H19N3O3/c1-25-16-11-18(23)21(17-7-2-3-10-20-17)12-15(16)19(24)22-13-5-4-6-14(22)9-8-13/h2-5,7,10-14H,6,8-9H2,1H3
InChIKeyDFWAISYLNNKXMY-UHFFFAOYSA-N
XLogP2.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one?
The IUPAC name of 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one (CID 90627303) is 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one is COc1cc(=O)n(-c2ccccn2)cc1C(=O)N1C2C=CCC1CC2.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one?
The InChIKey is DFWAISYLNNKXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-16-11-18(23)21(17-7-2-3-10-20-17)12-15(16)19(24)22-13-5-4-6-14(22)9-8-13/h2-5,7,10-14H,6,8-9H2,1H3.
What are the key properties of 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one?
5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-4-methoxy-1-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 90627303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).