ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate

C23H20FN3O2 — CID 59744986

IUPACethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2C#N)cc1NCCc1cccc(F)c1
InChIInChI=1S/C23H20FN3O2/c1-2-29-23(28)20-15-27-21(19-9-4-3-7-17(19)14-25)13-22(20)26-11-10-16-6-5-8-18(24)12-16/h3-9,12-13,15H,2,10-11H2,1H3,(H,26,27)
InChIKeyJJVDSMMQMLICKR-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.59
Rot. Bonds7

About ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate

ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate (PubChem CID 59744986) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate
PubChem CID59744986
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Nameethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2C#N)cc1NCCc1cccc(F)c1
InChIInChI=1S/C23H20FN3O2/c1-2-29-23(28)20-15-27-21(19-9-4-3-7-17(19)14-25)13-22(20)26-11-10-16-6-5-8-18(24)12-16/h3-9,12-13,15H,2,10-11H2,1H3,(H,26,27)
InChIKeyJJVDSMMQMLICKR-UHFFFAOYSA-N
XLogP4.59
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate (CID 59744986) is ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1cnc(-c2ccccc2C#N)cc1NCCc1cccc(F)c1.
What is the InChIKey of ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate?
The InChIKey is JJVDSMMQMLICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-2-29-23(28)20-15-27-21(19-9-4-3-7-17(19)14-25)13-22(20)26-11-10-16-6-5-8-18(24)12-16/h3-9,12-13,15H,2,10-11H2,1H3,(H,26,27).
What are the key properties of ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate?
ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 59744986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).