methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate

C21H16FN3O4 — CID 109093237

IUPACmethyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1
InChIInChI=1S/C21H16FN3O4/c1-29-21(28)16-7-2-3-8-17(16)25-20(27)18-11-13(9-10-23-18)19(26)24-15-6-4-5-14(22)12-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyXIIXBJHYAFUOCA-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.51
Rot. Bonds5

About methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate

methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate (PubChem CID 109093237) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
PubChem CID109093237
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Namemethyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1
InChIInChI=1S/C21H16FN3O4/c1-29-21(28)16-7-2-3-8-17(16)25-20(27)18-11-13(9-10-23-18)19(26)24-15-6-4-5-14(22)12-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyXIIXBJHYAFUOCA-UHFFFAOYSA-N
XLogP3.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[(2-methylphenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109091033
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
methyl 3-[[2-[(4-fluorophenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109092752
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
2-N-(3,4-difluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093279
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220818
methyl 4-[[4-[(2-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109092619
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
2-N-(3-fluorophenyl)-4-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092508
methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
2-N-(3-methoxyphenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091016

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate (CID 109093237) is methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1.
What is the InChIKey of methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
The InChIKey is XIIXBJHYAFUOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c1-29-21(28)16-7-2-3-8-17(16)25-20(27)18-11-13(9-10-23-18)19(26)24-15-6-4-5-14(22)12-15/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate?
methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate has a molecular weight of 393.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(3-fluorophenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109093237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).