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

C14H18N2O2 — CID 97385070

IUPAC[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
SMILESC[C@H]1C[C@@H]2CCN(C(=O)c3cccnc3)C[C@H]2O1
InChIInChI=1S/C14H18N2O2/c1-10-7-11-4-6-16(9-13(11)18-10)14(17)12-3-2-5-15-8-12/h2-3,5,8,10-11,13H,4,6-7,9H2,1H3/t10-,11-,13+/m0/s1
InChIKeyDCXNLJBAKNOGIL-GMXVVIOVSA-N
MW246.31 g/mol
LogP1.72
Rot. Bonds1

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

[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone (PubChem CID 97385070) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
PubChem CID97385070
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone
SMILESC[C@H]1C[C@@H]2CCN(C(=O)c3cccnc3)C[C@H]2O1
InChIInChI=1S/C14H18N2O2/c1-10-7-11-4-6-16(9-13(11)18-10)14(17)12-3-2-5-15-8-12/h2-3,5,8,10-11,13H,4,6-7,9H2,1H3/t10-,11-,13+/m0/s1
InChIKeyDCXNLJBAKNOGIL-GMXVVIOVSA-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 [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
[(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
[(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
[(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
[4-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95973871
1-(pyridine-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918253
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[(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
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95292486
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
[(2R,3aR,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-(3-methoxyphenyl)methanone
CID 133137687

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(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) is [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone is C[C@H]1C[C@@H]2CCN(C(=O)c3cccnc3)C[C@H]2O1.
What is the InChIKey of [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone?
The InChIKey is DCXNLJBAKNOGIL-GMXVVIOVSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-7-11-4-6-16(9-13(11)18-10)14(17)12-3-2-5-15-8-12/h2-3,5,8,10-11,13H,4,6-7,9H2,1H3/t10-,11-,13+/m0/s1.
What are the key properties of [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone?
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-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 [(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97385070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).