3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one

C19H21N3O3 — CID 71935370

IUPAC3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2ccccn2)[nH]c1=O)N1CCOC2CCCCC21
InChIInChI=1S/C19H21N3O3/c23-18-13(8-9-15(21-18)14-5-3-4-10-20-14)19(24)22-11-12-25-17-7-2-1-6-16(17)22/h3-5,8-10,16-17H,1-2,6-7,11-12H2,(H,21,23)
InChIKeyRKXCXSBQXZDPCV-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.22
Rot. Bonds2

About 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one (PubChem CID 71935370) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one
PubChem CID71935370
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2ccccn2)[nH]c1=O)N1CCOC2CCCCC21
InChIInChI=1S/C19H21N3O3/c23-18-13(8-9-15(21-18)14-5-3-4-10-20-14)19(24)22-11-12-25-17-7-2-1-6-16(17)22/h3-5,8-10,16-17H,1-2,6-7,11-12H2,(H,21,23)
InChIKeyRKXCXSBQXZDPCV-UHFFFAOYSA-N
XLogP2.22
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one (CID 71935370) is 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one is O=C(c1ccc(-c2ccccn2)[nH]c1=O)N1CCOC2CCCCC21.
What is the InChIKey of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one?
The InChIKey is RKXCXSBQXZDPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-18-13(8-9-15(21-18)14-5-3-4-10-20-14)19(24)22-11-12-25-17-7-2-1-6-16(17)22/h3-5,8-10,16-17H,1-2,6-7,11-12H2,(H,21,23).
What are the key properties of 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one?
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one has a molecular weight of 339.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 71935370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).