(3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C15H22N2O3 — CID 97380347

IUPAC(3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(C)o2)C1
InChIInChI=1S/C15H22N2O3/c1-10-3-4-12(20-10)9-17-8-11(15(18)16-2)7-14-13(17)5-6-19-14/h3-4,11,13-14H,5-9H2,1-2H3,(H,16,18)/t11-,13+,14+/m0/s1
InChIKeyDUYNMEHBHGWIIH-IACUBPJLSA-N
MW278.35 g/mol
LogP1.31
Rot. Bonds3

About (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 97380347) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID97380347
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(C)o2)C1
InChIInChI=1S/C15H22N2O3/c1-10-3-4-12(20-10)9-17-8-11(15(18)16-2)7-14-13(17)5-6-19-14/h3-4,11,13-14H,5-9H2,1-2H3,(H,16,18)/t11-,13+,14+/m0/s1
InChIKeyDUYNMEHBHGWIIH-IACUBPJLSA-N
XLogP1.31
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 97380347) is (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(C)o2)C1.
What is the InChIKey of (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is DUYNMEHBHGWIIH-IACUBPJLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-3-4-12(20-10)9-17-8-11(15(18)16-2)7-14-13(17)5-6-19-14/h3-4,11,13-14H,5-9H2,1-2H3,(H,16,18)/t11-,13+,14+/m0/s1.
What are the key properties of (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N-methyl-4-[(5-methylfuran-2-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 97380347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).