N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

C21H22FN3O3 — CID 91912326

About N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide (PubChem CID 91912326) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
• PubChem CID: 91912326
• Molecular Formula: C21H22FN3O3
• Molecular Weight: 383.42 g/mol
• Exact Mass: 383.16
• IUPAC Name: N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
• SMILES: COc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccncc2)C3)cc1F
• InChI: InChI=1S/C21H22FN3O3/c1-28-19-5-2-14(10-18(19)22)21(27)25-16-3-4-17(25)12-15(11-16)24-20(26)13-6-8-23-9-7-13/h2,5-10,15-17H,3-4,11-12H2,1H3,(H,24,26)/t15?,16-,17+
• InChIKey: FHQHXCCLBPOTGG-ALOPSCKCSA-N
• XLogP: 2.79
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.42
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?

The IUPAC name of N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide (CID 91912326) is N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide is COc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccncc2)C3)cc1F.

What is the InChIKey of N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?

The InChIKey is FHQHXCCLBPOTGG-ALOPSCKCSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-28-19-5-2-14(10-18(19)22)21(27)25-16-3-4-17(25)12-15(11-16)24-20(26)13-6-8-23-9-7-13/h2,5-10,15-17H,3-4,11-12H2,1H3,(H,24,26)/t15?,16-,17+.

What are the key properties of N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?

N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91912326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).