(3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid

C20H22FN3O6 — CID 171322666

About (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid

(3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid (PubChem CID 171322666) has the molecular formula C20H22FN3O6 and a molecular weight of 419.41 g/mol. Its IUPAC name is (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid.

Molecular Properties

• Compound Name: (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid
• PubChem CID: 171322666
• Molecular Formula: C20H22FN3O6
• Molecular Weight: 419.41 g/mol
• Exact Mass: 419.15
• IUPAC Name: (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid
• SMILES: Nc1cccc(C(=O)N2CC[C@@H](O)[C@](Cc3cccc(F)c3)(C(=O)O)C2)n1.O=CO
• InChI: InChI=1S/C19H20FN3O4.CH2O2/c20-13-4-1-3-12(9-13)10-19(18(26)27)11-23(8-7-15(19)24)17(25)14-5-2-6-16(21)22-14;2-1-3/h1-6,9,15,24H,7-8,10-11H2,(H2,21,22)(H,26,27);1H,(H,2,3)/t15-,19-;/m1./s1
• InChIKey: SNKWRSAMQCUTCK-AEFICSSHSA-N
• XLogP: 1.02
• TPSA: 154.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.41
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid?

The IUPAC name of (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid (CID 171322666) is (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid.

What is the SMILES notation for (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid?

The canonical SMILES for (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid is Nc1cccc(C(=O)N2CC[C@@H](O)[C@](Cc3cccc(F)c3)(C(=O)O)C2)n1.O=CO.

What is the InChIKey of (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid?

The InChIKey is SNKWRSAMQCUTCK-AEFICSSHSA-N. The full InChI is InChI=1S/C19H20FN3O4.CH2O2/c20-13-4-1-3-12(9-13)10-19(18(26)27)11-23(8-7-15(19)24)17(25)14-5-2-6-16(21)22-14;2-1-3/h1-6,9,15,24H,7-8,10-11H2,(H2,21,22)(H,26,27);1H,(H,2,3)/t15-,19-;/m1./s1.

What are the key properties of (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid?

(3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid has a molecular weight of 419.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-1-(6-aminopyridine-2-carbonyl)-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid;formic acid is sourced from PubChem (CID 171322666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).