[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone

C14H18N2O2 — CID 124830842

IUPAC[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone
SMILESC[C@@H]1C[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O1
InChIInChI=1S/C14H18N2O2/c1-10-8-11-5-7-16(9-13(11)18-10)14(17)12-4-2-3-6-15-12/h2-4,6,10-11,13H,5,7-9H2,1H3/t10-,11-,13+/m1/s1
InChIKeyIGZIWTBFGUTKLD-WZRBSPASSA-N
MW246.31 g/mol
LogP1.72
Rot. Bonds1

About [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone

[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone (PubChem CID 124830842) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone
PubChem CID124830842
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone
SMILESC[C@@H]1C[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O1
InChIInChI=1S/C14H18N2O2/c1-10-8-11-5-7-16(9-13(11)18-10)14(17)12-4-2-3-6-15-12/h2-4,6,10-11,13H,5,7-9H2,1H3/t10-,11-,13+/m1/s1
InChIKeyIGZIWTBFGUTKLD-WZRBSPASSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(thiadiazol-4-yl)methanone
CID 131683997
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
CID 97385070
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(6-ethyl-3-pyridinyl)methanone
CID 131683967
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 99834690
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(3,4-difluorophenyl)methanone
CID 97369452
1-[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-3-phenylpropan-1-one
CID 97392673
[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(4-fluoro-2-methylphenyl)methanone
CID 124792215
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone (CID 124830842) is [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone is C[C@@H]1C[C@H]2CCN(C(=O)c3ccccn3)C[C@@H]2O1.
What is the InChIKey of [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone?
The InChIKey is IGZIWTBFGUTKLD-WZRBSPASSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-8-11-5-7-16(9-13(11)18-10)14(17)12-4-2-3-6-15-12/h2-4,6,10-11,13H,5,7-9H2,1H3/t10-,11-,13+/m1/s1.
What are the key properties of [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone?
[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone has a molecular weight of 246.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 124830842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).