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

C18H23FN2O2 — CID 97380364

IUPAC(3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c19-14-3-1-12(2-4-14)10-21-11-13(18(22)20-15-5-6-15)9-17-16(21)7-8-23-17/h1-4,13,15-17H,5-11H2,(H,20,22)/t13-,16+,17+/m0/s1
InChIKeyIGZCDADDHSRVRJ-IAOVAPTHSA-N
MW318.39 g/mol
LogP2.08
Rot. Bonds4

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

(3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (PubChem CID 97380364) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is (3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
PubChem CID97380364
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name(3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
SMILESO=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN2O2/c19-14-3-1-12(2-4-14)10-21-11-13(18(22)20-15-5-6-15)9-17-16(21)7-8-23-17/h1-4,13,15-17H,5-11H2,(H,20,22)/t13-,16+,17+/m0/s1
InChIKeyIGZCDADDHSRVRJ-IAOVAPTHSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)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-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of (3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide (CID 97380364) is (3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)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-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for (3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is IGZCDADDHSRVRJ-IAOVAPTHSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-14-3-1-12(2-4-14)10-21-11-13(18(22)20-15-5-6-15)9-17-16(21)7-8-23-17/h1-4,13,15-17H,5-11H2,(H,20,22)/t13-,16+,17+/m0/s1.
What are the key properties of (3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide?
(3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,7aR)-N-cyclopropyl-4-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 97380364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).