2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

C24H24N4O3 — CID 50781891

IUPAC2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1C(=O)O
InChIInChI=1S/C24H24N4O3/c1-17-6-2-3-7-19(17)23(29)26-21-10-9-18(16-20(21)24(30)31)27-12-14-28(15-13-27)22-8-4-5-11-25-22/h2-11,16H,12-15H2,1H3,(H,26,29)(H,30,31)
InChIKeyQDYNIAAGZMDAJS-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.67
Rot. Bonds5

About 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid

2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid (PubChem CID 50781891) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
PubChem CID50781891
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
SMILESCc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1C(=O)O
InChIInChI=1S/C24H24N4O3/c1-17-6-2-3-7-19(17)23(29)26-21-10-9-18(16-20(21)24(30)31)27-12-14-28(15-13-27)22-8-4-5-11-25-22/h2-11,16H,12-15H2,1H3,(H,26,29)(H,30,31)
InChIKeyQDYNIAAGZMDAJS-UHFFFAOYSA-N
XLogP3.67
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 50782137
2-[(2-chlorobenzoyl)amino]-5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoic acid
CID 50781058
5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-[(2-methylbenzoyl)amino]benzoic acid
CID 50781853
N-(2,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109194484
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-methylbenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057936
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094094
methyl 2-amino-5-(4-pyridin-2-ylpiperazin-1-yl)benzoate
CID 146347076
2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782341
2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925870
5-[(2-fluorobenzoyl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46363069
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid?
The IUPAC name of 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid (CID 50781891) is 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid.
What is the SMILES notation for 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid?
The canonical SMILES for 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid is Cc1ccccc1C(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1C(=O)O.
What is the InChIKey of 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid?
The InChIKey is QDYNIAAGZMDAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17-6-2-3-7-19(17)23(29)26-21-10-9-18(16-20(21)24(30)31)27-12-14-28(15-13-27)22-8-4-5-11-25-22/h2-11,16H,12-15H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid?
2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid has a molecular weight of 416.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid is sourced from PubChem (CID 50781891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).