(4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

C17H27N3O2 — CID 124795580

IUPAC(4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOCCN1CCO[C@@H]2CCN(Cc3ncccc3C)C[C@H]21
InChIInChI=1S/C17H27N3O2/c1-14-4-3-6-18-15(14)12-19-7-5-17-16(13-19)20(8-10-21-2)9-11-22-17/h3-4,6,16-17H,5,7-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyCIFHKNMXDNSYHM-IAGOWNOFSA-N
MW305.42 g/mol
LogP1.31
Rot. Bonds5

About (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine

(4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (PubChem CID 124795580) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
PubChem CID124795580
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
SMILESCOCCN1CCO[C@@H]2CCN(Cc3ncccc3C)C[C@H]21
InChIInChI=1S/C17H27N3O2/c1-14-4-3-6-18-15(14)12-19-7-5-17-16(13-19)20(8-10-21-2)9-11-22-17/h3-4,6,16-17H,5,7-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyCIFHKNMXDNSYHM-IAGOWNOFSA-N
XLogP1.31
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine with MolForge

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Launch Full Analysis

Related Compounds

(4aS,8aS)-4-(2-methoxyethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 98895400
(4aS,8aS)-6-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 98896625
[(4aR,8aR)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-thiophen-3-ylmethanone
CID 124801643
(4aS,8aR)-6-[(3-methyl-2-pyridinyl)methyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135641
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylimidazol-4-yl)methanone
CID 98895145
(5aR,9aR)-4-(2-methoxyethyl)-8-[(2-methoxy-3-pyridinyl)methyl]-3,5a,6,7,9,9a-hexahydro-2H-pyrido[4,3-f][1,4]oxazepin-5-one
CID 97419316
[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylpyrazol-3-yl)methanone
CID 98896974
3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 112651020
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
(4aR,8aR)-6-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(pyridin-3-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 125188768
[(4aS,7aR)-4-(2-methoxyethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-phenylmethanone
CID 124798189
[(4aR,7aS)-4-(2-methoxyethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-methylpyrazol-3-yl)methanone
CID 131687580

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The IUPAC name of (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine (CID 124795580) is (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine.
What is the SMILES notation for (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The canonical SMILES for (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is COCCN1CCO[C@@H]2CCN(Cc3ncccc3C)C[C@H]21.
What is the InChIKey of (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
The InChIKey is CIFHKNMXDNSYHM-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-4-3-6-18-15(14)12-19-7-5-17-16(13-19)20(8-10-21-2)9-11-22-17/h3-4,6,16-17H,5,7-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine?
(4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine has a molecular weight of 305.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-4-(2-methoxyethyl)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine is sourced from PubChem (CID 124795580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).