5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid

C18H15N3O6 — CID 110500173

IUPAC5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid
SMILESCc1cn2cccc(OCC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)c2n1
InChIInChI=1S/C18H15N3O6/c1-10-8-21-4-2-3-14(16(21)19-10)27-9-15(22)20-13-6-11(17(23)24)5-12(7-13)18(25)26/h2-8H,9H2,1H3,(H,20,22)(H,23,24)(H,25,26)
InChIKeyQISIEXCOQHVMDU-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.06
Rot. Bonds6

About 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid

5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid (PubChem CID 110500173) has the molecular formula C18H15N3O6 and a molecular weight of 369.33 g/mol. Its IUPAC name is 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid
PubChem CID110500173
Molecular FormulaC18H15N3O6
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Name5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid
SMILESCc1cn2cccc(OCC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)c2n1
InChIInChI=1S/C18H15N3O6/c1-10-8-21-4-2-3-14(16(21)19-10)27-9-15(22)20-13-6-11(17(23)24)5-12(7-13)18(25)26/h2-8H,9H2,1H3,(H,20,22)(H,23,24)(H,25,26)
InChIKeyQISIEXCOQHVMDU-UHFFFAOYSA-N
XLogP2.06
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid with MolForge

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Related Compounds

methyl 3-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzoate
CID 110500306
[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid
CID 110500265
N-(2,6-dichlorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500214
N-(2,4-difluorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500320
N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500359
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110500276
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496806
2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]pentanoic acid
CID 110496809
3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid
CID 110496815
N-(2-methoxy-5-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500224
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110500353
5-[[2-(2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 880340

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid (CID 110500173) is 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid is Cc1cn2cccc(OCC(=O)Nc3cc(C(=O)O)cc(C(=O)O)c3)c2n1.
What is the InChIKey of 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid?
The InChIKey is QISIEXCOQHVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6/c1-10-8-21-4-2-3-14(16(21)19-10)27-9-15(22)20-13-6-11(17(23)24)5-12(7-13)18(25)26/h2-8H,9H2,1H3,(H,20,22)(H,23,24)(H,25,26).
What are the key properties of 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid?
5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid has a molecular weight of 369.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 110500173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).