N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide

C20H22FN3O2 — CID 124781595

About N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide

N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide (PubChem CID 124781595) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 124781595
• Molecular Formula: C20H22FN3O2
• Molecular Weight: 355.41 g/mol
• Exact Mass: 355.17
• IUPAC Name: N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide
• SMILES: O=C(NC[C@@]12COC[C@@H]1CN(Cc1ccccc1F)C2)c1cccnc1
• InChI: InChI=1S/C20H22FN3O2/c21-18-6-2-1-4-16(18)9-24-10-17-11-26-14-20(17,13-24)12-23-19(25)15-5-3-7-22-8-15/h1-8,17H,9-14H2,(H,23,25)/t17-,20+/m0/s1
• InChIKey: KHJQOMHFAAPKGC-FXAWDEMLSA-N
• XLogP: 2.10
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.41
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide (CID 124781595) is N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@@]12COC[C@@H]1CN(Cc1ccccc1F)C2)c1cccnc1.

What is the InChIKey of N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide?

The InChIKey is KHJQOMHFAAPKGC-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-18-6-2-1-4-16(18)9-24-10-17-11-26-14-20(17,13-24)12-23-19(25)15-5-3-7-22-8-15/h1-8,17H,9-14H2,(H,23,25)/t17-,20+/m0/s1.

What are the key properties of N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide?

N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3aS,6aS)-5-[(2-fluorophenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 124781595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).