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

C16H21FN2O2 — CID 97380349

IUPAC(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-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(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c1-18-16(20)12-8-15-14(6-7-21-15)19(10-12)9-11-2-4-13(17)5-3-11/h2-5,12,14-15H,6-10H2,1H3,(H,18,20)/t12-,14+,15+/m0/s1
InChIKeyBGFIHDWENVJPOR-NWANDNLSSA-N
MW292.35 g/mol
LogP1.55
Rot. Bonds3

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

(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 97380349) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID97380349
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-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(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c1-18-16(20)12-8-15-14(6-7-21-15)19(10-12)9-11-2-4-13(17)5-3-11/h2-5,12,14-15H,6-10H2,1H3,(H,18,20)/t12-,14+,15+/m0/s1
InChIKeyBGFIHDWENVJPOR-NWANDNLSSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-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)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 97380349) is (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-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)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-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(F)cc2)C1.
What is the InChIKey of (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is BGFIHDWENVJPOR-NWANDNLSSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-18-16(20)12-8-15-14(6-7-21-15)19(10-12)9-11-2-4-13(17)5-3-11/h2-5,12,14-15H,6-10H2,1H3,(H,18,20)/t12-,14+,15+/m0/s1.
What are the key properties of (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-4-[(4-fluorophenyl)methyl]-N-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 97380349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).