2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid

C24H23FN4O4 — CID 53094208

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cnc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C24H23FN4O4/c1-33-20-8-2-16(3-9-20)23(30)27-18-14-21(24(31)32)22(26-15-18)29-12-10-28(11-13-29)19-6-4-17(25)5-7-19/h2-9,14-15H,10-13H2,1H3,(H,27,30)(H,31,32)
InChIKeyYMRXEMJUUCCESX-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.51
Rot. Bonds6

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid

2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 53094208) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID53094208
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cnc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C24H23FN4O4/c1-33-20-8-2-16(3-9-20)23(30)27-18-14-21(24(31)32)22(26-15-18)29-12-10-28(11-13-29)19-6-4-17(25)5-7-19/h2-9,14-15H,10-13H2,1H3,(H,27,30)(H,31,32)
InChIKeyYMRXEMJUUCCESX-UHFFFAOYSA-N
XLogP3.51
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094147
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094094
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
2-(3-ethoxycarbonylpiperidin-1-yl)-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094003
5-[(4-methoxybenzoyl)amino]-N,N-bis(2-methylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
CID 53108494
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
5-[(4-fluorobenzoyl)amino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 98747636
N'-(4-fluorobenzoyl)-4-(4-methoxyphenyl)piperazine-1-carbohydrazide
CID 18144093
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
6-[(4-methoxybenzoyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50784035
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-5-[(4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 95075646

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid (CID 53094208) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid is COc1ccc(C(=O)Nc2cnc(N3CCN(c4ccc(F)cc4)CC3)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is YMRXEMJUUCCESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c1-33-20-8-2-16(3-9-20)23(30)27-18-14-21(24(31)32)22(26-15-18)29-12-10-28(11-13-29)19-6-4-17(25)5-7-19/h2-9,14-15H,10-13H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid?
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 450.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53094208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).