JJVDSMMQMLICKR-UHFFFAOYSA-N

Name: JJVDSMMQMLICKR-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₂₀FN₃O₂ — CID 59744986

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 JJVDSMMQMLICKR-UHFFFAOYSA-N

JJVDSMMQMLICKR-UHFFFAOYSA-N (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 Name	JJVDSMMQMLICKR-UHFFFAOYSA-N
PubChem CID	59744986
Molecular Formula	C₂₃H₂₀FN₃O₂
Molecular Weight	389.43 g/mol
Exact Mass	389.15
IUPAC Name	ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate
SMILES	CCOC(=O)c1cnc(-c2ccccc2C#N)cc1NCCc1cccc(F)c1
InChI	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)
InChIKey	JJVDSMMQMLICKR-UHFFFAOYSA-N
XLogP	4.59
TPSA	75.01 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.43
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of JJVDSMMQMLICKR-UHFFFAOYSA-N?

The IUPAC name of JJVDSMMQMLICKR-UHFFFAOYSA-N (CID 59744986) is ethyl 6-(2-cyanophenyl)-4-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylate.

What is the SMILES notation for JJVDSMMQMLICKR-UHFFFAOYSA-N?

The canonical SMILES for JJVDSMMQMLICKR-UHFFFAOYSA-N is CCOC(=O)c1cnc(-c2ccccc2C#N)cc1NCCc1cccc(F)c1.

What is the InChIKey of JJVDSMMQMLICKR-UHFFFAOYSA-N?

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 JJVDSMMQMLICKR-UHFFFAOYSA-N?

JJVDSMMQMLICKR-UHFFFAOYSA-N 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 JJVDSMMQMLICKR-UHFFFAOYSA-N is sourced from PubChem (CID 59744986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 59744986 — identifiers, structure, computed properties (public domain)

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