4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium

C119H121ClI2N16O22S3V — CID 161443906

IUPAC4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium
SMILESC.C.C.C.C.CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(N)c2c1C(=O)N(c1cccnc1)C2=O.Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1ccc[n+]([O-])c1)C2=O.Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1cccnc1)C2=O.Cc1ccc([N+](=O)[O-])c2c1C(=O)N(c1cccnc1)C2=O.Cc1cccc2c1C(=O)N(c1cccnc1)C2=O.Cc1cccc2c1C(=O)OC2=O.II.Nc1cccnc1.[V]
InChIInChI=1S/C24H23N3O5S.C24H23N3O4S.C14H9N3O4.C14H11N3O2.C14H10N2O2.C10H13ClO2S.C9H6O3.C5H6N2.5CH4.I2.V/c1-15-7-12-19(25-33(31,32)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-26(30)14-17;1-15-7-12-19(26-32(30,31)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-25-14-17;1-8-4-5-10(17(20)21)12-11(8)13(18)16(14(12)19)9-3-2-6-15-7-9;1-8-4-5-10(15)12-11(8)13(18)17(14(12)19)9-3-2-6-16-7-9;1-9-4-2-6-11-12(9)14(18)16(13(11)17)10-5-3-7-15-8-10;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-5-3-2-4-6-7(5)9(11)12-8(6)10;6-5-2-1-3-7-4-5;;;;;;1-2;/h5-14,25H,1-4H3;5-14,26H,1-4H3;2-7H,1H3;2-7H,15H2,1H3;2-8H,1H3;4-7H,1-3H3;2-4H,1H3;1-4H,6H2;5*1H4;;
InChIKeyVZQIKJHWFXZUNE-UHFFFAOYSA-N
MW2563.77 g/mol
LogP23.71
Rot. Bonds13

About 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium

4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium (PubChem CID 161443906) has the molecular formula C119H121ClI2N16O22S3V and a molecular weight of 2563.77 g/mol. Its IUPAC name is 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium.

Molecular Properties

Compound Name4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium
PubChem CID161443906
Molecular FormulaC119H121ClI2N16O22S3V
Molecular Weight2563.77 g/mol
Exact Mass2561.52
IUPAC Name4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium
SMILESC.C.C.C.C.CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(N)c2c1C(=O)N(c1cccnc1)C2=O.Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1ccc[n+]([O-])c1)C2=O.Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1cccnc1)C2=O.Cc1ccc([N+](=O)[O-])c2c1C(=O)N(c1cccnc1)C2=O.Cc1cccc2c1C(=O)N(c1cccnc1)C2=O.Cc1cccc2c1C(=O)OC2=O.II.Nc1cccnc1.[V]
InChIInChI=1S/C24H23N3O5S.C24H23N3O4S.C14H9N3O4.C14H11N3O2.C14H10N2O2.C10H13ClO2S.C9H6O3.C5H6N2.5CH4.I2.V/c1-15-7-12-19(25-33(31,32)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-26(30)14-17;1-15-7-12-19(26-32(30,31)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-25-14-17;1-8-4-5-10(17(20)21)12-11(8)13(18)16(14(12)19)9-3-2-6-15-7-9;1-8-4-5-10(15)12-11(8)13(18)17(14(12)19)9-3-2-6-16-7-9;1-9-4-2-6-11-12(9)14(18)16(13(11)17)10-5-3-7-15-8-10;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-5-3-2-4-6-7(5)9(11)12-8(6)10;6-5-2-1-3-7-4-5;;;;;;1-2;/h5-14,25H,1-4H3;5-14,26H,1-4H3;2-7H,1H3;2-7H,15H2,1H3;2-8H,1H3;4-7H,1-3H3;2-4H,1H3;1-4H,6H2;5*1H4;;
InChIKeyVZQIKJHWFXZUNE-UHFFFAOYSA-N
XLogP23.71
TPSA543.32 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds13
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002563.77
LogP ≤ 523.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium?
The IUPAC name of 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium (CID 161443906) is 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium.
What is the SMILES notation for 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium?
The canonical SMILES for 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium is C.C.C.C.C.CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(N)c2c1C(=O)N(c1cccnc1)C2=O.Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1ccc[n+]([O-])c1)C2=O.Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2c1C(=O)N(c1cccnc1)C2=O.Cc1ccc([N+](=O)[O-])c2c1C(=O)N(c1cccnc1)C2=O.Cc1cccc2c1C(=O)N(c1cccnc1)C2=O.Cc1cccc2c1C(=O)OC2=O.II.Nc1cccnc1.[V].
What is the InChIKey of 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium?
The InChIKey is VZQIKJHWFXZUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S.C24H23N3O4S.C14H9N3O4.C14H11N3O2.C14H10N2O2.C10H13ClO2S.C9H6O3.C5H6N2.5CH4.I2.V/c1-15-7-12-19(25-33(31,32)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-26(30)14-17;1-15-7-12-19(26-32(30,31)18-10-8-16(9-11-18)24(2,3)4)21-20(15)22(28)27(23(21)29)17-6-5-13-25-14-17;1-8-4-5-10(17(20)21)12-11(8)13(18)16(14(12)19)9-3-2-6-15-7-9;1-8-4-5-10(15)12-11(8)13(18)17(14(12)19)9-3-2-6-16-7-9;1-9-4-2-6-11-12(9)14(18)16(13(11)17)10-5-3-7-15-8-10;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-5-3-2-4-6-7(5)9(11)12-8(6)10;6-5-2-1-3-7-4-5;;;;;;1-2;/h5-14,25H,1-4H3;5-14,26H,1-4H3;2-7H,1H3;2-7H,15H2,1H3;2-8H,1H3;4-7H,1-3H3;2-4H,1H3;1-4H,6H2;5*1H4;;.
What are the key properties of 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium?
4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium has a molecular weight of 2563.77 g/mol, XLogP of 23.71, 13 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-2-pyridin-3-ylisoindole-1,3-dione;4-tert-butylbenzenesulfonyl chloride;4-tert-butyl-N-(7-methyl-1,3-dioxo-2-pyridin-3-ylisoindol-4-yl)benzenesulfonamide;4-tert-butyl-N-[7-methyl-2-(1-oxidopyridin-1-ium-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide;methane;4-methyl-2-benzofuran-1,3-dione;4-methyl-7-nitro-2-pyridin-3-ylisoindole-1,3-dione;4-methyl-2-pyridin-3-ylisoindole-1,3-dione;molecular iodine;pyridin-3-amine;vanadium is sourced from PubChem (CID 161443906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).