ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate

C21H18FN3O3 — CID 109244137

IUPACethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C21H18FN3O3/c1-2-28-21(27)14-7-9-16(10-8-14)24-17-11-15(12-23-13-17)20(26)25-19-6-4-3-5-18(19)22/h3-13,24H,2H2,1H3,(H,25,26)
InChIKeyIFRFEWCIOICXKP-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.39
Rot. Bonds6

About ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate

ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate (PubChem CID 109244137) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
PubChem CID109244137
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Nameethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)cc1
InChIInChI=1S/C21H18FN3O3/c1-2-28-21(27)14-7-9-16(10-8-14)24-17-11-15(12-23-13-17)20(26)25-19-6-4-3-5-18(19)22/h3-13,24H,2H2,1H3,(H,25,26)
InChIKeyIFRFEWCIOICXKP-UHFFFAOYSA-N
XLogP4.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(dimethylamino)anilino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109244125
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795
ethyl 2-[[5-(2,4-difluoroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109246267
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
N-(2-fluorophenyl)-5-(propylamino)pyridine-3-carboxamide
CID 109223073
5-(2,3-dimethylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109243282
5-(butylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109224645
ethyl 4-[[5-(pyridin-4-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235609
N-(2,4-difluorophenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109245490
N-(3,4-dimethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109242899
5-(butan-2-ylamino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109225415
N-(2,4-difluorophenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109245433

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate (CID 109244137) is ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2cncc(C(=O)Nc3ccccc3F)c2)cc1.
What is the InChIKey of ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
The InChIKey is IFRFEWCIOICXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c1-2-28-21(27)14-7-9-16(10-8-14)24-17-11-15(12-23-13-17)20(26)25-19-6-4-3-5-18(19)22/h3-13,24H,2H2,1H3,(H,25,26).
What are the key properties of ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate?
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate has a molecular weight of 379.39 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109244137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).