[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone

C14H19N3O3 — CID 129486317

IUPAC[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESCN1CC[C@@H]2OCCN(C(=O)c3cncc(O)c3)[C@@H]2C1
InChIInChI=1S/C14H19N3O3/c1-16-3-2-13-12(9-16)17(4-5-20-13)14(19)10-6-11(18)8-15-7-10/h6-8,12-13,18H,2-5,9H2,1H3/t12-,13+/m1/s1
InChIKeyHNKVTMOHZBEEQE-OLZOCXBDSA-N
MW277.32 g/mol
LogP0.33
Rot. Bonds1

About [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone

[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 129486317) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
PubChem CID129486317
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
SMILESCN1CC[C@@H]2OCCN(C(=O)c3cncc(O)c3)[C@@H]2C1
InChIInChI=1S/C14H19N3O3/c1-16-3-2-13-12(9-16)17(4-5-20-13)14(19)10-6-11(18)8-15-7-10/h6-8,12-13,18H,2-5,9H2,1H3/t12-,13+/m1/s1
InChIKeyHNKVTMOHZBEEQE-OLZOCXBDSA-N
XLogP0.33
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone with MolForge

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Related Compounds

[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 129345073
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 129486069
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 78954237
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-bromo-3-pyridinyl)methanone
CID 47251098
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129486414
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129346881
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129485457
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129486187
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129486185

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone (CID 129486317) is [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone is CN1CC[C@@H]2OCCN(C(=O)c3cncc(O)c3)[C@@H]2C1.
What is the InChIKey of [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is HNKVTMOHZBEEQE-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-3-2-13-12(9-16)17(4-5-20-13)14(19)10-6-11(18)8-15-7-10/h6-8,12-13,18H,2-5,9H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone?
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 277.32 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 129486317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).