[(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone

C17H24N2O2 — CID 124819457

IUPAC[(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCC[C@@H]1OC[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)CC[C@@H]21
InChIInChI=1S/C17H24N2O2/c1-4-16-15-5-6-19(9-14(15)10-21-16)17(20)13-7-11(2)18-12(3)8-13/h7-8,14-16H,4-6,9-10H2,1-3H3/t14-,15-,16-/m0/s1
InChIKeyCECINFZWZQAOGZ-JYJNAYRXSA-N
MW288.39 g/mol
LogP2.59
Rot. Bonds2

About [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone

[(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone (PubChem CID 124819457) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
PubChem CID124819457
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCC[C@@H]1OC[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)CC[C@@H]21
InChIInChI=1S/C17H24N2O2/c1-4-16-15-5-6-19(9-14(15)10-21-16)17(20)13-7-11(2)18-12(3)8-13/h7-8,14-16H,4-6,9-10H2,1-3H3/t14-,15-,16-/m0/s1
InChIKeyCECINFZWZQAOGZ-JYJNAYRXSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone with MolForge

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Related Compounds

[(1R,3aR,7aR)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridazin-4-ylmethanone
CID 97482477
[(5aS,8aS)-4-ethyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 97473991
[(1R,3aS,7aS)-1-[(dimethylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(1,3-benzodioxol-5-yl)methanone
CID 97387999
N-[[(1R,3aS,7aS)-5-(pyridazine-4-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97365058
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 72904462
N-[[(1S,3aR,7aR)-5-(5-methylfuran-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]methanesulfonamide
CID 97461784
[(1R,3aR,7aR)-1-[(pyrimidin-2-ylamino)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(5-methylfuran-2-yl)methanone
CID 97459906
[(1R,3aR,7aR)-1-(diethylaminomethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(1H-pyrrol-3-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 155869342
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
[4-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]piperazin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99928811
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
1-[(1S,3aR,7aR)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-2-ethoxyethanone
CID 97485285

Frequently Asked Questions

What is the IUPAC name of [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The IUPAC name of [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone (CID 124819457) is [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone.
What is the SMILES notation for [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The canonical SMILES for [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone is CC[C@@H]1OC[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)CC[C@@H]21.
What is the InChIKey of [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The InChIKey is CECINFZWZQAOGZ-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-16-15-5-6-19(9-14(15)10-21-16)17(20)13-7-11(2)18-12(3)8-13/h7-8,14-16H,4-6,9-10H2,1-3H3/t14-,15-,16-/m0/s1.
What are the key properties of [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
[(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aS,7aS)-1-ethyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone is sourced from PubChem (CID 124819457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).