methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate

C22H19FN2O5 — CID 59600590

IUPACmethyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1OCc1ccccc1
InChIInChI=1S/C22H19FN2O5/c1-29-22(28)18-20(30-13-15-5-3-2-4-6-15)19(26)17(12-24-18)21(27)25-11-14-7-9-16(23)10-8-14/h2-10,12H,11,13H2,1H3,(H,24,26)(H,25,27)
InChIKeySOGHNFFTQWXXDC-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.81
Rot. Bonds7

About methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate

methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate (PubChem CID 59600590) has the molecular formula C22H19FN2O5 and a molecular weight of 410.40 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate
PubChem CID59600590
Molecular FormulaC22H19FN2O5
Molecular Weight410.40 g/mol
Exact Mass410.13
IUPAC Namemethyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1OCc1ccccc1
InChIInChI=1S/C22H19FN2O5/c1-29-22(28)18-20(30-13-15-5-3-2-4-6-15)19(26)17(12-24-18)21(27)25-11-14-7-9-16(23)10-8-14/h2-10,12H,11,13H2,1H3,(H,24,26)(H,25,27)
InChIKeySOGHNFFTQWXXDC-UHFFFAOYSA-N
XLogP2.81
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate (CID 59600590) is methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate is COC(=O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.
What is the InChIKey of methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate?
The InChIKey is SOGHNFFTQWXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O5/c1-29-22(28)18-20(30-13-15-5-3-2-4-6-15)19(26)17(12-24-18)21(27)25-11-14-7-9-16(23)10-8-14/h2-10,12H,11,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate?
methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate has a molecular weight of 410.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylate is sourced from PubChem (CID 59600590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).