6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid

C19H20N2O3 — CID 122057588

IUPAC6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2c3ccccc3CC23CCOCC3)n1
InChIInChI=1S/C19H20N2O3/c22-18(23)15-6-3-7-16(20-15)21-17-14-5-2-1-4-13(14)12-19(17)8-10-24-11-9-19/h1-7,17H,8-12H2,(H,20,21)(H,22,23)
InChIKeyMXKVFWOYRKNSHF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.29
Rot. Bonds3

About 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid

6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid (PubChem CID 122057588) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid
PubChem CID122057588
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2c3ccccc3CC23CCOCC3)n1
InChIInChI=1S/C19H20N2O3/c22-18(23)15-6-3-7-16(20-15)21-17-14-5-2-1-4-13(14)12-19(17)8-10-24-11-9-19/h1-7,17H,8-12H2,(H,20,21)(H,22,23)
InChIKeyMXKVFWOYRKNSHF-UHFFFAOYSA-N
XLogP3.29
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid (CID 122057588) is 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid is O=C(O)c1cccc(NC2c3ccccc3CC23CCOCC3)n1.
What is the InChIKey of 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid?
The InChIKey is MXKVFWOYRKNSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(23)15-6-3-7-16(20-15)21-17-14-5-2-1-4-13(14)12-19(17)8-10-24-11-9-19/h1-7,17H,8-12H2,(H,20,21)(H,22,23).
What are the key properties of 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid?
6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(spiro[1,3-dihydroindene-2,4'-oxane]-1-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 122057588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).