2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid

C20H20FN3O4 — CID 67122772

IUPAC2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)N2CCC3(CCc4cc(F)ccc4O3)CC2)c1
InChIInChI=1S/C20H20FN3O4/c21-15-1-2-16-13(11-15)3-5-20(28-16)6-9-24(10-7-20)19(27)23-17-12-14(18(25)26)4-8-22-17/h1-2,4,8,11-12H,3,5-7,9-10H2,(H,25,26)(H,22,23,27)
InChIKeyDBJBNCFDNJUKOK-UHFFFAOYSA-N
MW385.40 g/mol
LogP3.31
Rot. Bonds2

About 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid

2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid (PubChem CID 67122772) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid
PubChem CID67122772
Molecular FormulaC20H20FN3O4
Molecular Weight385.40 g/mol
Exact Mass385.14
IUPAC Name2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC(=O)N2CCC3(CCc4cc(F)ccc4O3)CC2)c1
InChIInChI=1S/C20H20FN3O4/c21-15-1-2-16-13(11-15)3-5-20(28-16)6-9-24(10-7-20)19(27)23-17-12-14(18(25)26)4-8-22-17/h1-2,4,8,11-12H,3,5-7,9-10H2,(H,25,26)(H,22,23,27)
InChIKeyDBJBNCFDNJUKOK-UHFFFAOYSA-N
XLogP3.31
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid (CID 67122772) is 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC(=O)N2CCC3(CCc4cc(F)ccc4O3)CC2)c1.
What is the InChIKey of 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid?
The InChIKey is DBJBNCFDNJUKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c21-15-1-2-16-13(11-15)3-5-20(28-16)6-9-24(10-7-20)19(27)23-17-12-14(18(25)26)4-8-22-17/h1-2,4,8,11-12H,3,5-7,9-10H2,(H,25,26)(H,22,23,27).
What are the key properties of 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid?
2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-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 2-[(6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 67122772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).