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

C116H84N24O16 — CID 158996312

IUPAC4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1cc2ccccc2c(/N=N/c2c3ccccc3nc3ccccc23)c1O.NC(=O)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C24H18N4O4.C24H16N4O2.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)19-14-25-12-11-20(19)27-28-21-17-10-6-5-7-15(17)13-18(22(21)29)23(30)26-16-8-3-2-4-9-16;25-24(30)18-13-14-7-1-2-8-15(14)22(23(18)29)28-27-21-16-9-3-5-11-19(16)26-20-12-6-4-10-17(20)21;1-32-23(31)19-21(25-12-11-24-19)28-27-18-16-10-6-5-7-14(16)13-17(20(18)29)22(30)26-15-8-3-2-4-9-15;24-21(30)17-11-6-12-25-22(17)28-27-19-16-10-5-4-7-14(16)13-18(20(19)29)23(31)26-15-8-2-1-3-9-15;23-20(30)18-21(25-11-10-24-18)28-27-17-15-9-5-4-6-13(15)12-16(19(17)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+
InChIKeyJQTYJWLLTUULEX-AJODKAFZSA-N
MW2070.10 g/mol
LogP24.75
Rot. Bonds23

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

4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate (PubChem CID 158996312) has the molecular formula C116H84N24O16 and a molecular weight of 2070.10 g/mol. Its IUPAC name is 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate
PubChem CID158996312
Molecular FormulaC116H84N24O16
Molecular Weight2070.10 g/mol
Exact Mass2068.65
IUPAC Name4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1cc2ccccc2c(/N=N/c2c3ccccc3nc3ccccc23)c1O.NC(=O)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C24H18N4O4.C24H16N4O2.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)19-14-25-12-11-20(19)27-28-21-17-10-6-5-7-15(17)13-18(22(21)29)23(30)26-16-8-3-2-4-9-16;25-24(30)18-13-14-7-1-2-8-15(14)22(23(18)29)28-27-21-16-9-3-5-11-19(16)26-20-12-6-4-10-17(20)21;1-32-23(31)19-21(25-12-11-24-19)28-27-18-16-10-6-5-7-14(16)13-17(20(18)29)22(30)26-15-8-3-2-4-9-15;24-21(30)17-11-6-12-25-22(17)28-27-19-16-10-5-4-7-14(16)13-18(20(19)29)23(31)26-15-8-2-1-3-9-15;23-20(30)18-21(25-11-10-24-18)28-27-17-15-9-5-4-6-13(15)12-16(19(17)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+
InChIKeyJQTYJWLLTUULEX-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 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate?
The IUPAC name of 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate (CID 158996312) is 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate.
What is the SMILES notation for 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate?
The canonical SMILES for 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate is COC(=O)c1cnccc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.COC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1cc2ccccc2c(/N=N/c2c3ccccc3nc3ccccc23)c1O.NC(=O)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1nccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate?
The InChIKey is JQTYJWLLTUULEX-AJODKAFZSA-N. The full InChI is InChI=1S/C24H18N4O4.C24H16N4O2.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)19-14-25-12-11-20(19)27-28-21-17-10-6-5-7-15(17)13-18(22(21)29)23(30)26-16-8-3-2-4-9-16;25-24(30)18-13-14-7-1-2-8-15(14)22(23(18)29)28-27-21-16-9-3-5-11-19(16)26-20-12-6-4-10-17(20)21;1-32-23(31)19-21(25-12-11-24-19)28-27-18-16-10-6-5-7-14(16)13-17(20(18)29)22(30)26-15-8-3-2-4-9-15;24-21(30)17-11-6-12-25-22(17)28-27-19-16-10-5-4-7-14(16)13-18(20(19)29)23(31)26-15-8-2-1-3-9-15;23-20(30)18-21(25-11-10-24-18)28-27-17-15-9-5-4-6-13(15)12-16(19(17)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 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate?
4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-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 4-(acridin-9-yldiazenyl)-3-hydroxynaphthalene-2-carboxamide;3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxamide;2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate is sourced from PubChem (CID 158996312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).