(3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

C20H25N3O2 — CID 97388014

IUPAC(3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C20H25N3O2/c1-22(2)20(24)15-11-19-18(9-10-25-19)23(12-15)13-16-8-7-14-5-3-4-6-17(14)21-16/h3-8,15,18-19H,9-13H2,1-2H3/t15-,18+,19+/m0/s1
InChIKeyHJWZYYXQLCREQB-KFKAGJAMSA-N
MW339.44 g/mol
LogP2.30
Rot. Bonds3

About (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide

(3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 97388014) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID97388014
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C20H25N3O2/c1-22(2)20(24)15-11-19-18(9-10-25-19)23(12-15)13-16-8-7-14-5-3-4-6-17(14)21-16/h3-8,15,18-19H,9-13H2,1-2H3/t15-,18+,19+/m0/s1
InChIKeyHJWZYYXQLCREQB-KFKAGJAMSA-N
XLogP2.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-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,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 97388014) is (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-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,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is HJWZYYXQLCREQB-KFKAGJAMSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(2)20(24)15-11-19-18(9-10-25-19)23(12-15)13-16-8-7-14-5-3-4-6-17(14)21-16/h3-8,15,18-19H,9-13H2,1-2H3/t15-,18+,19+/m0/s1.
What are the key properties of (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N,N-dimethyl-4-(quinolin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 97388014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).