(2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C17H24N2O2 — CID 97366939

IUPAC(2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1
InChIInChI=1S/C17H24N2O2/c1-18-17(20)15-11-14-8-10-19(12-16(14)21-15)9-7-13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3,(H,18,20)/t14-,15+,16-/m0/s1
InChIKeyFKVIWXOCZQSIDV-XHSDSOJGSA-N
MW288.39 g/mol
LogP1.45
Rot. Bonds4

About (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366939) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366939
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1
InChIInChI=1S/C17H24N2O2/c1-18-17(20)15-11-14-8-10-19(12-16(14)21-15)9-7-13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3,(H,18,20)/t14-,15+,16-/m0/s1
InChIKeyFKVIWXOCZQSIDV-XHSDSOJGSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366939) is (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is CNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1.
What is the InChIKey of (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is FKVIWXOCZQSIDV-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-17(20)15-11-14-8-10-19(12-16(14)21-15)9-7-13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3,(H,18,20)/t14-,15+,16-/m0/s1.
What are the key properties of (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aR)-N-methyl-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).