5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid

C21H19FN2O5 — CID 130310844

IUPAC5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid
SMILESO=C(O)C1=C(OCc2ccccc2)C(O)C(C(=O)NCc2ccc(F)cc2)=CN1
InChIInChI=1S/C21H19FN2O5/c22-15-8-6-13(7-9-15)10-24-20(26)16-11-23-17(21(27)28)19(18(16)25)29-12-14-4-2-1-3-5-14/h1-9,11,18,23,25H,10,12H2,(H,24,26)(H,27,28)
InChIKeyFFWZLFNGAQIJJZ-UHFFFAOYSA-N
MW398.39 g/mol
LogP1.80
Rot. Bonds7

About 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid

5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid (PubChem CID 130310844) has the molecular formula C21H19FN2O5 and a molecular weight of 398.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid
PubChem CID130310844
Molecular FormulaC21H19FN2O5
Molecular Weight398.39 g/mol
Exact Mass398.13
IUPAC Name5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid
SMILESO=C(O)C1=C(OCc2ccccc2)C(O)C(C(=O)NCc2ccc(F)cc2)=CN1
InChIInChI=1S/C21H19FN2O5/c22-15-8-6-13(7-9-15)10-24-20(26)16-11-23-17(21(27)28)19(18(16)25)29-12-14-4-2-1-3-5-14/h1-9,11,18,23,25H,10,12H2,(H,24,26)(H,27,28)
InChIKeyFFWZLFNGAQIJJZ-UHFFFAOYSA-N
XLogP1.80
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid (CID 130310844) is 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid is O=C(O)C1=C(OCc2ccccc2)C(O)C(C(=O)NCc2ccc(F)cc2)=CN1.
What is the InChIKey of 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid?
The InChIKey is FFWZLFNGAQIJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O5/c22-15-8-6-13(7-9-15)10-24-20(26)16-11-23-17(21(27)28)19(18(16)25)29-12-14-4-2-1-3-5-14/h1-9,11,18,23,25H,10,12H2,(H,24,26)(H,27,28).
What are the key properties of 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid?
5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid has a molecular weight of 398.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-1,4-dihydropyridine-2-carboxylic acid is sourced from PubChem (CID 130310844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).