3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate

C116H84N24O16 — CID 158396635

IUPAC3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.COC(=O)c1nccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.NC(=O)c1c(O)c(/N=N/c2c3ccccc3nc3ccccc23)cc2ccccc12.NC(=O)c1cccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.NC(=O)c1nccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C24H18N4O4.C24H16N4O2.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)18-14-25-12-11-19(18)27-28-20-13-15-7-5-6-10-17(15)21(22(20)29)23(30)26-16-8-3-2-4-9-16;25-24(30)21-15-8-2-1-7-14(15)13-20(23(21)29)27-28-22-16-9-3-5-11-18(16)26-19-12-6-4-10-17(19)22;1-32-23(31)19-21(25-12-11-24-19)28-27-17-13-14-7-5-6-10-16(14)18(20(17)29)22(30)26-15-8-3-2-4-9-15;24-21(30)17-11-6-12-25-22(17)28-27-18-13-14-7-4-5-10-16(14)19(20(18)29)23(31)26-15-8-2-1-3-9-15;23-20(30)18-21(25-11-10-24-18)28-27-16-12-13-6-4-5-9-15(13)17(19(16)29)22(31)26-14-7-2-1-3-8-14/h2-14,29H,1H3,(H,26,30);1-13,29H,(H2,25,30);2-13,29H,1H3,(H,26,30);1-13,29H,(H2,24,30)(H,26,31);1-12,29H,(H2,23,30)(H,26,31)/b5*28-27+
InChIKeyGXPUBEQRLORSAO-AJODKAFZSA-N
MW2070.10 g/mol
LogP24.75
Rot. Bonds23

About 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate

3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate (PubChem CID 158396635) has the molecular formula C116H84N24O16 and a molecular weight of 2070.10 g/mol. Its IUPAC name is 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate
PubChem CID158396635
Molecular FormulaC116H84N24O16
Molecular Weight2070.10 g/mol
Exact Mass2068.65
IUPAC Name3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.COC(=O)c1nccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.NC(=O)c1c(O)c(/N=N/c2c3ccccc3nc3ccccc23)cc2ccccc12.NC(=O)c1cccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.NC(=O)c1nccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C24H18N4O4.C24H16N4O2.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)18-14-25-12-11-19(18)27-28-20-13-15-7-5-6-10-17(15)21(22(20)29)23(30)26-16-8-3-2-4-9-16;25-24(30)21-15-8-2-1-7-14(15)13-20(23(21)29)27-28-22-16-9-3-5-11-18(16)26-19-12-6-4-10-17(19)22;1-32-23(31)19-21(25-12-11-24-19)28-27-17-13-14-7-5-6-10-16(14)18(20(17)29)22(30)26-15-8-3-2-4-9-15;24-21(30)17-11-6-12-25-22(17)28-27-18-13-14-7-4-5-10-16(14)19(20(18)29)23(31)26-15-8-2-1-3-9-15;23-20(30)18-21(25-11-10-24-18)28-27-16-12-13-6-4-5-9-15(13)17(19(16)29)22(31)26-14-7-2-1-3-8-14/h2-14,29H,1H3,(H,26,30);1-13,29H,(H2,25,30);2-13,29H,1H3,(H,26,30);1-13,29H,(H2,24,30)(H,26,31);1-12,29H,(H2,23,30)(H,26,31)/b5*28-27+
InChIKeyGXPUBEQRLORSAO-AJODKAFZSA-N
XLogP24.75
TPSA613.25 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms156
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002070.10
LogP ≤ 524.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate?
The IUPAC name of 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate (CID 158396635) is 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate.
What is the SMILES notation for 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate?
The canonical SMILES for 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate is COC(=O)c1cnccc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.COC(=O)c1nccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.NC(=O)c1c(O)c(/N=N/c2c3ccccc3nc3ccccc23)cc2ccccc12.NC(=O)c1cccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.NC(=O)c1nccnc1/N=N/c1cc2ccccc2c(C(=O)Nc2ccccc2)c1O.
What is the InChIKey of 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate?
The InChIKey is GXPUBEQRLORSAO-AJODKAFZSA-N. The full InChI is InChI=1S/C24H18N4O4.C24H16N4O2.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)18-14-25-12-11-19(18)27-28-20-13-15-7-5-6-10-17(15)21(22(20)29)23(30)26-16-8-3-2-4-9-16;25-24(30)21-15-8-2-1-7-14(15)13-20(23(21)29)27-28-22-16-9-3-5-11-18(16)26-19-12-6-4-10-17(19)22;1-32-23(31)19-21(25-12-11-24-19)28-27-17-13-14-7-5-6-10-16(14)18(20(17)29)22(30)26-15-8-3-2-4-9-15;24-21(30)17-11-6-12-25-22(17)28-27-18-13-14-7-4-5-10-16(14)19(20(18)29)23(31)26-15-8-2-1-3-9-15;23-20(30)18-21(25-11-10-24-18)28-27-16-12-13-6-4-5-9-15(13)17(19(16)29)22(31)26-14-7-2-1-3-8-14/h2-14,29H,1H3,(H,26,30);1-13,29H,(H2,25,30);2-13,29H,1H3,(H,26,30);1-13,29H,(H2,24,30)(H,26,31);1-12,29H,(H2,23,30)(H,26,31)/b5*28-27+.
What are the key properties of 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate?
3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate has a molecular weight of 2070.10 g/mol, XLogP of 24.75, 23 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(acridin-9-yldiazenyl)-2-hydroxynaphthalene-1-carboxamide;3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxamide;2-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[3-hydroxy-4-(phenylcarbamoyl)naphthalen-2-yl]diazenyl]pyridine-3-carboxylate is sourced from PubChem (CID 158396635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).