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

C21H17FN2O5 — CID 59600570

IUPAC5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1OCc1ccccc1
InChIInChI=1S/C21H17FN2O5/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/h1-9,11H,10,12H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyQHSWPHDRUSLIRF-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.72
Rot. Bonds7

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

5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid (PubChem CID 59600570) has the molecular formula C21H17FN2O5 and a molecular weight of 396.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
PubChem CID59600570
Molecular FormulaC21H17FN2O5
Molecular Weight396.37 g/mol
Exact Mass396.11
IUPAC Name5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1OCc1ccccc1
InChIInChI=1S/C21H17FN2O5/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/h1-9,11H,10,12H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyQHSWPHDRUSLIRF-UHFFFAOYSA-N
XLogP2.72
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
CID 59600586
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-1-(2-oxoethyl)-3-phenylmethoxypyridine-2-carboxylic acid
CID 152765811
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
methyl 1-amino-6-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-5-phenylmethoxypyridine-3-carboxylate
CID 130410779
N,2-bis[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 68677998
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylpyrido[1,2-a]pyrazine-7-carboxamide
CID 67329269
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-benzyl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzamide
CID 7981561
N-[(4-fluorophenyl)methyl]-1,8-dioxo-9-phenylmethoxy-2-(2-piperidin-1-ylethyl)pyrido[1,2-a]pyrazine-7-carboxamide
CID 67309481
5-N-[(4-fluorophenyl)methyl]-3-methoxy-2-N-methyl-4-phenylmethoxypyridine-2,5-dicarboxamide
CID 71482107
N-[(4-fluorophenyl)methyl]-1,8-dioxo-2-(2-phenoxyethyl)-9-phenylmethoxypyrido[1,2-a]pyrazine-7-carboxamide
CID 67310299

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid (CID 59600570) is 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]cc(C(=O)NCc2ccc(F)cc2)c(=O)c1OCc1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid?
The InChIKey is QHSWPHDRUSLIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O5/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/h1-9,11H,10,12H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid?
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid has a molecular weight of 396.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 59600570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).