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

C14H20N2O — CID 97369322

IUPAC(2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC[C@H]1C[C@H]2CN(Cc3ccccn3)CC[C@@H]2O1
InChIInChI=1S/C14H20N2O/c1-11-8-12-9-16(7-5-14(12)17-11)10-13-4-2-3-6-15-13/h2-4,6,11-12,14H,5,7-10H2,1H3/t11-,12-,14-/m0/s1
InChIKeyYJUILXHWEKGUKU-OBJOEFQTSA-N
MW232.33 g/mol
LogP2.08
Rot. Bonds2

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

(2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 97369322) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID97369322
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESC[C@H]1C[C@H]2CN(Cc3ccccn3)CC[C@@H]2O1
InChIInChI=1S/C14H20N2O/c1-11-8-12-9-16(7-5-14(12)17-11)10-13-4-2-3-6-15-13/h2-4,6,11-12,14H,5,7-10H2,1H3/t11-,12-,14-/m0/s1
InChIKeyYJUILXHWEKGUKU-OBJOEFQTSA-N
XLogP2.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of (2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 97369322) is (2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for (2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for (2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is C[C@H]1C[C@H]2CN(Cc3ccccn3)CC[C@@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is YJUILXHWEKGUKU-OBJOEFQTSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-8-12-9-16(7-5-14(12)17-11)10-13-4-2-3-6-15-13/h2-4,6,11-12,14H,5,7-10H2,1H3/t11-,12-,14-/m0/s1.
What are the key properties of (2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
(2S,3aS,7aS)-2-methyl-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 232.33 g/mol, XLogP of 2.08, 2 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-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 97369322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).