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

C15H22N2O3 — CID 97366874

IUPAC(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1
InChIInChI=1S/C15H22N2O3/c1-16(2)15(18)13-7-12-3-5-17(9-14(12)20-13)8-11-4-6-19-10-11/h4,6,10,12-14H,3,5,7-9H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyFRXGJRQEYCFMJV-MJBXVCDLSA-N
MW278.35 g/mol
LogP1.35
Rot. Bonds3

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

(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366874) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366874
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1
InChIInChI=1S/C15H22N2O3/c1-16(2)15(18)13-7-12-3-5-17(9-14(12)20-13)8-11-4-6-19-10-11/h4,6,10,12-14H,3,5,7-9H2,1-2H3/t12-,13+,14-/m0/s1
InChIKeyFRXGJRQEYCFMJV-MJBXVCDLSA-N
XLogP1.35
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366874) is (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is CN(C)C(=O)[C@H]1C[C@@H]2CCN(Cc3ccoc3)C[C@@H]2O1.
What is the InChIKey of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is FRXGJRQEYCFMJV-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(2)15(18)13-7-12-3-5-17(9-14(12)20-13)8-11-4-6-19-10-11/h4,6,10,12-14H,3,5,7-9H2,1-2H3/t12-,13+,14-/m0/s1.
What are the key properties of (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).