2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid

C24H16N2O5 — CID 56639907

IUPAC2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid
SMILESNc1ccc(C2c3ccccc3C(C(=O)O)=Cc3c2oc2cc(O)ccc2c3=O)cn1
InChIInChI=1S/C24H16N2O5/c25-20-8-5-12(11-26-20)21-15-4-2-1-3-14(15)17(24(29)30)10-18-22(28)16-7-6-13(27)9-19(16)31-23(18)21/h1-11,21,27H,(H2,25,26)(H,29,30)
InChIKeyMUOQXLPYUUZDMN-UHFFFAOYSA-N
MW412.40 g/mol
LogP3.59
Rot. Bonds2

About 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid

2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid (PubChem CID 56639907) has the molecular formula C24H16N2O5 and a molecular weight of 412.40 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid
PubChem CID56639907
Molecular FormulaC24H16N2O5
Molecular Weight412.40 g/mol
Exact Mass412.11
IUPAC Name2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid
SMILESNc1ccc(C2c3ccccc3C(C(=O)O)=Cc3c2oc2cc(O)ccc2c3=O)cn1
InChIInChI=1S/C24H16N2O5/c25-20-8-5-12(11-26-20)21-15-4-2-1-3-14(15)17(24(29)30)10-18-22(28)16-7-6-13(27)9-19(16)31-23(18)21/h1-11,21,27H,(H2,25,26)(H,29,30)
InChIKeyMUOQXLPYUUZDMN-UHFFFAOYSA-N
XLogP3.59
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid with MolForge

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Related Compounds

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CID 46888691
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CID 44274583
2-(3-Hydroxy-6-oxoxanthen-9-yl)-4-[4-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]butylcarbamoyl]benzoic acid
CID 44274584
2-(3-Hydroxy-6-oxoxanthen-9-yl)-5-[8-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]octylcarbamoyl]benzoic acid
CID 44274585
2-(3-Hydroxy-6-oxoxanthen-9-yl)-5-[2-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]ethylcarbamoyl]benzoic acid
CID 44457674
2-(3-Hydroxy-6-oxoxanthen-9-yl)-4-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]hexylcarbamoyl]benzoic acid
CID 44457689
2-(3-Hydroxy-6-oxoxanthen-9-yl)-5-[6-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl-methylamino]hexylcarbamoyl]benzoic acid
CID 44457702

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid?
The IUPAC name of 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid (CID 56639907) is 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid is Nc1ccc(C2c3ccccc3C(C(=O)O)=Cc3c2oc2cc(O)ccc2c3=O)cn1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid?
The InChIKey is MUOQXLPYUUZDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O5/c25-20-8-5-12(11-26-20)21-15-4-2-1-3-14(15)17(24(29)30)10-18-22(28)16-7-6-13(27)9-19(16)31-23(18)21/h1-11,21,27H,(H2,25,26)(H,29,30).
What are the key properties of 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid?
2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid has a molecular weight of 412.40 g/mol, XLogP of 3.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-16-hydroxy-12-oxo-19-oxatetracyclo[9.8.0.03,8.013,18]nonadeca-1(11),3,5,7,9,13(18),14,16-octaene-9-carboxylic acid is sourced from PubChem (CID 56639907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).