6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid

C20H23FN2O3 — CID 142757401

IUPAC6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CNC1C(=O)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O3/c21-16-4-2-1-3-14(16)13-5-9-23(10-6-13)18(24)17-15(19(25)26)11-20(7-8-20)12-22-17/h1-5,15,17,22H,6-12H2,(H,25,26)
InChIKeyVYGYLKFSFPSKAK-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.28
Rot. Bonds3

About 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid

6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 142757401) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID142757401
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CNC1C(=O)N1CC=C(c2ccccc2F)CC1
InChIInChI=1S/C20H23FN2O3/c21-16-4-2-1-3-14(16)13-5-9-23(10-6-13)18(24)17-15(19(25)26)11-20(7-8-20)12-22-17/h1-5,15,17,22H,6-12H2,(H,25,26)
InChIKeyVYGYLKFSFPSKAK-UHFFFAOYSA-N
XLogP2.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid (CID 142757401) is 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid is O=C(O)C1CC2(CC2)CNC1C(=O)N1CC=C(c2ccccc2F)CC1.
What is the InChIKey of 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is VYGYLKFSFPSKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-4-2-1-3-14(16)13-5-9-23(10-6-13)18(24)17-15(19(25)26)11-20(7-8-20)12-22-17/h1-5,15,17,22H,6-12H2,(H,25,26).
What are the key properties of 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?
6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 358.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 142757401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).