5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid

C20H20FN3O4 — CID 67122919

About 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid

5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 67122919) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid
• PubChem CID: 67122919
• Molecular Formula: C20H20FN3O4
• Molecular Weight: 385.40 g/mol
• Exact Mass: 385.14
• IUPAC Name: 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid
• SMILES: O=C(O)c1cncc(NC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)c1
• InChI: InChI=1S/C20H20FN3O4/c21-15-2-1-13-3-4-20(28-17(13)10-15)5-7-24(8-6-20)19(27)23-16-9-14(18(25)26)11-22-12-16/h1-2,9-12H,3-8H2,(H,23,27)(H,25,26)
• InChIKey: ZZLPMZKXRVTZSE-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 91.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.40
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid (CID 67122919) is 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)N2CCC3(CCc4ccc(F)cc4O3)CC2)c1.

What is the InChIKey of 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid?

The InChIKey is ZZLPMZKXRVTZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-15-2-1-13-3-4-20(28-17(13)10-15)5-7-24(8-6-20)19(27)23-16-9-14(18(25)26)11-22-12-16/h1-2,9-12H,3-8H2,(H,23,27)(H,25,26).

What are the key properties of 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid?

5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 385.40 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67122919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).