5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid

C23H21FN4O3 — CID 53009325

IUPAC5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(Nc1cnc(N2CCN(c3ccccc3)CC2)c(C(=O)O)c1)c1ccccc1F
InChIInChI=1S/C23H21FN4O3/c24-20-9-5-4-8-18(20)22(29)26-16-14-19(23(30)31)21(25-15-16)28-12-10-27(11-13-28)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,26,29)(H,30,31)
InChIKeySBDPIHMGNILRQJ-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.50
Rot. Bonds5

About 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid

5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 53009325) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID53009325
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(Nc1cnc(N2CCN(c3ccccc3)CC2)c(C(=O)O)c1)c1ccccc1F
InChIInChI=1S/C23H21FN4O3/c24-20-9-5-4-8-18(20)22(29)26-16-14-19(23(30)31)21(25-15-16)28-12-10-27(11-13-28)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,26,29)(H,30,31)
InChIKeySBDPIHMGNILRQJ-UHFFFAOYSA-N
XLogP3.50
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 53009325) is 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid is O=C(Nc1cnc(N2CCN(c3ccccc3)CC2)c(C(=O)O)c1)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is SBDPIHMGNILRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c24-20-9-5-4-8-18(20)22(29)26-16-14-19(23(30)31)21(25-15-16)28-12-10-27(11-13-28)17-6-2-1-3-7-17/h1-9,14-15H,10-13H2,(H,26,29)(H,30,31).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid?
5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 420.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-2-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53009325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).