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

C15H22N4O3 — CID 136582267

IUPAC[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone
SMILESCCN1CC[C@H]2OCCN(C(=O)c3cncc(OC)n3)[C@H]2C1
InChIInChI=1S/C15H22N4O3/c1-3-18-5-4-13-12(10-18)19(6-7-22-13)15(20)11-8-16-9-14(17-11)21-2/h8-9,12-13H,3-7,10H2,1-2H3/t12-,13+/m0/s1
InChIKeyWDICNITYXWDEBL-QWHCGFSZSA-N
MW306.37 g/mol
LogP0.42
Rot. Bonds3

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

[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone (PubChem CID 136582267) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone
PubChem CID136582267
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone
SMILESCCN1CC[C@H]2OCCN(C(=O)c3cncc(OC)n3)[C@H]2C1
InChIInChI=1S/C15H22N4O3/c1-3-18-5-4-13-12(10-18)19(6-7-22-13)15(20)11-8-16-9-14(17-11)21-2/h8-9,12-13H,3-7,10H2,1-2H3/t12-,13+/m0/s1
InChIKeyWDICNITYXWDEBL-QWHCGFSZSA-N
XLogP0.42
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,2-oxazol-3-yl)methanone
CID 128535857
(6-methoxypyrazin-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 136581263
[(4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyrazin-2-ylmethanone
CID 98895919
N-[[4-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-4-carbonyl]phenyl]methyl]prop-2-enamide
CID 166410478
1-[(4aS,8aS)-6-[(2-methoxyphenyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]ethanone
CID 98896503
[(4aS,8aS)-6-[(6-methoxy-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(furan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155839719
[(4aR,8aR)-6-[(2-methylpyrazol-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 124811047
[(4aS,8aS)-6-[(2-methylpyrazol-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 98896109
1-[(4aR,8aS)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl]propan-1-one
CID 124881012
[(4R,4aS,7aS)-6-ethyl-4-methoxy-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-pyrazin-2-ylmethanone
CID 97420744
2-[4-(6-methoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66433439
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375243

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone?
The IUPAC name of [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone (CID 136582267) is [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone?
The canonical SMILES for [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone is CCN1CC[C@H]2OCCN(C(=O)c3cncc(OC)n3)[C@H]2C1.
What is the InChIKey of [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone?
The InChIKey is WDICNITYXWDEBL-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-18-5-4-13-12(10-18)19(6-7-22-13)15(20)11-8-16-9-14(17-11)21-2/h8-9,12-13H,3-7,10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone?
[(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone has a molecular weight of 306.37 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-6-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(6-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 136582267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).