2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate

C116H86N24O18 — CID 159916631

IUPAC2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.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)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1cncnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/2C24H18N4O4.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)18-12-7-13-25-22(18)28-27-20-17-11-6-5-8-15(17)14-19(21(20)29)23(30)26-16-9-3-2-4-10-16;1-32-24(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;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)17-11-24-12-25-21(17)28-27-18-15-9-5-4-6-13(15)10-16(19(18)29)22(31)26-14-7-2-1-3-8-14/h2*2-14,29H,1H3,(H,26,30);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+
InChIKeyNXWCEASFMXQMDE-AJODKAFZSA-N
MW2104.11 g/mol
LogP24.39
Rot. Bonds25

About 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate

2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate (PubChem CID 159916631) has the molecular formula C116H86N24O18 and a molecular weight of 2104.11 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate
PubChem CID159916631
Molecular FormulaC116H86N24O18
Molecular Weight2104.11 g/mol
Exact Mass2102.66
IUPAC Name2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.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)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1cncnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/2C24H18N4O4.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)18-12-7-13-25-22(18)28-27-20-17-11-6-5-8-15(17)14-19(21(20)29)23(30)26-16-9-3-2-4-10-16;1-32-24(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;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)17-11-24-12-25-21(17)28-27-18-15-9-5-4-6-13(15)10-16(19(18)29)22(31)26-14-7-2-1-3-8-14/h2*2-14,29H,1H3,(H,26,30);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+
InChIKeyNXWCEASFMXQMDE-AJODKAFZSA-N
XLogP24.39
TPSA625.56 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms158
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002104.11
LogP ≤ 524.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate?
The IUPAC name of 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate (CID 159916631) is 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate.
What is the SMILES notation for 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate?
The canonical SMILES for 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate is COC(=O)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.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)c1cccnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.NC(=O)c1cncnc1/N=N/c1c(O)c(C(=O)Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate?
The InChIKey is NXWCEASFMXQMDE-AJODKAFZSA-N. The full InChI is InChI=1S/2C24H18N4O4.C23H17N5O4.C23H17N5O3.C22H16N6O3/c1-32-24(31)18-12-7-13-25-22(18)28-27-20-17-11-6-5-8-15(17)14-19(21(20)29)23(30)26-16-9-3-2-4-10-16;1-32-24(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;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)17-11-24-12-25-21(17)28-27-18-15-9-5-4-6-13(15)10-16(19(18)29)22(31)26-14-7-2-1-3-8-14/h2*2-14,29H,1H3,(H,26,30);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 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate?
2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate has a molecular weight of 2104.11 g/mol, XLogP of 24.39, 25 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxamide;4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrimidine-5-carboxamide;methyl 3-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyrazine-2-carboxylate;methyl 2-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate;methyl 4-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]pyridine-3-carboxylate is sourced from PubChem (CID 159916631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).