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

C19H22N4O4 — CID 50782137

IUPAC2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
SMILESCOCC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1C(=O)O
InChIInChI=1S/C19H22N4O4/c1-27-13-18(24)21-16-6-5-14(12-15(16)19(25)26)22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)(H,25,26)
InChIKeyDAUHVOUIKQVNFB-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.69
Rot. Bonds6

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

2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid (PubChem CID 50782137) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
PubChem CID50782137
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
SMILESCOCC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1C(=O)O
InChIInChI=1S/C19H22N4O4/c1-27-13-18(24)21-16-6-5-14(12-15(16)19(25)26)22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)(H,25,26)
InChIKeyDAUHVOUIKQVNFB-UHFFFAOYSA-N
XLogP1.69
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 50781891
2-[(2-methoxyacetyl)amino]-5-piperidin-1-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146057975
methyl 2-amino-5-(4-pyridin-2-ylpiperazin-1-yl)benzoate
CID 146347076
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid
CID 50782647
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(propanoylamino)benzoic acid
CID 50782232
5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid
CID 50782411
2-methoxy-N-(2-methoxy-4-pyrrolidin-1-ylphenyl)acetamide
CID 168512322
3-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid
CID 103224487
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 50782780
2-(3-methylbutanoylamino)-5-(4-methylpiperazin-1-yl)benzoic acid
CID 50782545

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid?
The IUPAC name of 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid (CID 50782137) is 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid is COCC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1C(=O)O.
What is the InChIKey of 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid?
The InChIKey is DAUHVOUIKQVNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-27-13-18(24)21-16-6-5-14(12-15(16)19(25)26)22-8-10-23(11-9-22)17-4-2-3-7-20-17/h2-7,12H,8-11,13H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid?
2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid is sourced from PubChem (CID 50782137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).