(2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C15H26N2O3 — CID 97366659

IUPAC(2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-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(C3CCOCC3)C[C@H]2O1
InChIInChI=1S/C15H26N2O3/c1-16(2)15(18)13-9-11-3-6-17(10-14(11)20-13)12-4-7-19-8-5-12/h11-14H,3-10H2,1-2H3/t11-,13-,14+/m0/s1
InChIKeyCCVFZCKHCKMXEM-FPMFFAJLSA-N
MW282.38 g/mol
LogP0.73
Rot. Bonds2

About (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366659) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366659
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-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(C3CCOCC3)C[C@H]2O1
InChIInChI=1S/C15H26N2O3/c1-16(2)15(18)13-9-11-3-6-17(10-14(11)20-13)12-4-7-19-8-5-12/h11-14H,3-10H2,1-2H3/t11-,13-,14+/m0/s1
InChIKeyCCVFZCKHCKMXEM-FPMFFAJLSA-N
XLogP0.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-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 (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366659) is (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-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(C3CCOCC3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is CCVFZCKHCKMXEM-FPMFFAJLSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-16(2)15(18)13-9-11-3-6-17(10-14(11)20-13)12-4-7-19-8-5-12/h11-14H,3-10H2,1-2H3/t11-,13-,14+/m0/s1.
What are the key properties of (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-N,N-dimethyl-6-(oxan-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).