6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid

C18H21FN4O2 — CID 122047730

IUPAC6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCN2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H21FN4O2/c19-14-4-6-15(7-5-14)23-12-10-22(11-13-23)9-8-20-17-3-1-2-16(21-17)18(24)25/h1-7H,8-13H2,(H,20,21)(H,24,25)
InChIKeyQNJQILCBLXWMQI-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.15
Rot. Bonds6

About 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid

6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid (PubChem CID 122047730) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid
PubChem CID122047730
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NCCN2CCN(c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H21FN4O2/c19-14-4-6-15(7-5-14)23-12-10-22(11-13-23)9-8-20-17-3-1-2-16(21-17)18(24)25/h1-7H,8-13H2,(H,20,21)(H,24,25)
InChIKeyQNJQILCBLXWMQI-UHFFFAOYSA-N
XLogP2.15
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid (CID 122047730) is 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NCCN2CCN(c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is QNJQILCBLXWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-14-4-6-15(7-5-14)23-12-10-22(11-13-23)9-8-20-17-3-1-2-16(21-17)18(24)25/h1-7H,8-13H2,(H,20,21)(H,24,25).
What are the key properties of 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid?
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).