ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate

C23H21FN2O3 — CID 59654758

IUPACethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate
SMILESCCOC(=O)CCc1cccc(NC(=O)c2cccc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C23H21FN2O3/c1-2-29-22(27)14-9-16-5-3-6-19(15-16)25-23(28)21-8-4-7-20(26-21)17-10-12-18(24)13-11-17/h3-8,10-13,15H,2,9,14H2,1H3,(H,25,28)
InChIKeyWIMJBEWKXMJLTE-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.64
Rot. Bonds7

About ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate

ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate (PubChem CID 59654758) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate
PubChem CID59654758
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Nameethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate
SMILESCCOC(=O)CCc1cccc(NC(=O)c2cccc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C23H21FN2O3/c1-2-29-22(27)14-9-16-5-3-6-19(15-16)25-23(28)21-8-4-7-20(26-21)17-10-12-18(24)13-11-17/h3-8,10-13,15H,2,9,14H2,1H3,(H,25,28)
InChIKeyWIMJBEWKXMJLTE-UHFFFAOYSA-N
XLogP4.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate?
The IUPAC name of ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate (CID 59654758) is ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate?
The canonical SMILES for ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate is CCOC(=O)CCc1cccc(NC(=O)c2cccc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate?
The InChIKey is WIMJBEWKXMJLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-2-29-22(27)14-9-16-5-3-6-19(15-16)25-23(28)21-8-4-7-20(26-21)17-10-12-18(24)13-11-17/h3-8,10-13,15H,2,9,14H2,1H3,(H,25,28).
What are the key properties of ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate?
ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate has a molecular weight of 392.43 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[[6-(4-fluorophenyl)pyridine-2-carbonyl]amino]phenyl]propanoate is sourced from PubChem (CID 59654758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).