2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide

C15H22N4O2 — CID 97402895

IUPAC2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCO[C@H]2CN(c3ccccn3)C[C@H]21
InChIInChI=1S/C15H22N4O2/c1-17(2)15(20)11-18-7-8-21-13-10-19(9-12(13)18)14-5-3-4-6-16-14/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyDIVUMLBETQOIEI-OLZOCXBDSA-N
MW290.37 g/mol
LogP0.06
Rot. Bonds3

About 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide

2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide (PubChem CID 97402895) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide
PubChem CID97402895
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCO[C@H]2CN(c3ccccn3)C[C@H]21
InChIInChI=1S/C15H22N4O2/c1-17(2)15(20)11-18-7-8-21-13-10-19(9-12(13)18)14-5-3-4-6-16-14/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyDIVUMLBETQOIEI-OLZOCXBDSA-N
XLogP0.06
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

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[1-[5-(Trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
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1-Propan-2-yl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
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Morpholin-4-yl 4-(2-pyridyl)piperazinyl ketone
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[1-(5-Isocyano-2-pyridinyl)pyrrolidin-3-yl] 4-propan-2-ylpiperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide (CID 97402895) is 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCO[C@H]2CN(c3ccccn3)C[C@H]21.
What is the InChIKey of 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide?
The InChIKey is DIVUMLBETQOIEI-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17(2)15(20)11-18-7-8-21-13-10-19(9-12(13)18)14-5-3-4-6-16-14/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide?
2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide has a molecular weight of 290.37 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,7aS)-6-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 97402895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).