3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide

C158H232N26O15 — CID 161165479

IUPAC3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(/N=N/C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(/N=N/C2C(=O)N(CC)C(=O)C(C#N)=C2C)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(/N=N/C2C(=O)N(N(C)C)C(=O)C(C#N)=C2C)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)N(CC)C(=O)C(C#N)=C1C.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)NC(=O)C(C#N)=C1C
InChIInChI=1S/C32H48N6O3.3C32H47N5O3.C30H43N5O3/c1-8-12-15-24(10-3)21-37(22-25(11-4)16-13-9-2)30(39)26-17-14-18-27(19-26)34-35-29-23(5)28(20-33)31(40)38(32(29)41)36(6)7;1-7-12-16-24(9-3)21-36(22-25(10-4)17-13-8-2)30(38)26-18-14-15-19-28(26)34-35-29-23(6)27(20-33)31(39)37(11-5)32(29)40;1-7-12-15-24(9-3)21-36(22-25(10-4)16-13-8-2)30(38)26-17-14-18-27(19-26)34-35-29-23(6)28(20-33)31(39)37(11-5)32(29)40;1-7-12-14-24(9-3)21-36(22-25(10-4)15-13-8-2)30(38)26-16-18-27(19-17-26)34-35-29-23(6)28(20-33)31(39)37(11-5)32(29)40;1-6-10-14-22(8-3)19-35(20-23(9-4)15-11-7-2)30(38)24-16-12-13-17-26(24)33-34-27-21(5)25(18-31)28(36)32-29(27)37/h14,17-19,24-25,29H,8-13,15-16,21-22H2,1-7H3;14-15,18-19,24-25,29H,7-13,16-17,21-22H2,1-6H3;14,17-19,24-25,29H,7-13,15-16,21-22H2,1-6H3;16-19,24-25,29H,7-15,21-22H2,1-6H3;12-13,16-17,22-23,27H,6-11,14-15,19-20H2,1-5H3,(H,32,36,37)/b4*35-34+;34-33+
InChIKeyUQLYHZOCQPZJOI-REGWSUMPSA-N
MW2735.76 g/mol
LogP34.94
Rot. Bonds79

About 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide

3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide (PubChem CID 161165479) has the molecular formula C158H232N26O15 and a molecular weight of 2735.76 g/mol. Its IUPAC name is 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide
PubChem CID161165479
Molecular FormulaC158H232N26O15
Molecular Weight2735.76 g/mol
Exact Mass2733.82
IUPAC Name3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(/N=N/C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(/N=N/C2C(=O)N(CC)C(=O)C(C#N)=C2C)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(/N=N/C2C(=O)N(N(C)C)C(=O)C(C#N)=C2C)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)N(CC)C(=O)C(C#N)=C1C.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)NC(=O)C(C#N)=C1C
InChIInChI=1S/C32H48N6O3.3C32H47N5O3.C30H43N5O3/c1-8-12-15-24(10-3)21-37(22-25(11-4)16-13-9-2)30(39)26-17-14-18-27(19-26)34-35-29-23(5)28(20-33)31(40)38(32(29)41)36(6)7;1-7-12-16-24(9-3)21-36(22-25(10-4)17-13-8-2)30(38)26-18-14-15-19-28(26)34-35-29-23(6)27(20-33)31(39)37(11-5)32(29)40;1-7-12-15-24(9-3)21-36(22-25(10-4)16-13-8-2)30(38)26-17-14-18-27(19-26)34-35-29-23(6)28(20-33)31(39)37(11-5)32(29)40;1-7-12-14-24(9-3)21-36(22-25(10-4)15-13-8-2)30(38)26-16-18-27(19-17-26)34-35-29-23(6)28(20-33)31(39)37(11-5)32(29)40;1-6-10-14-22(8-3)19-35(20-23(9-4)15-11-7-2)30(38)24-16-12-13-17-26(24)33-34-27-21(5)25(18-31)28(36)32-29(27)37/h14,17-19,24-25,29H,8-13,15-16,21-22H2,1-7H3;14-15,18-19,24-25,29H,7-13,16-17,21-22H2,1-6H3;14,17-19,24-25,29H,7-13,15-16,21-22H2,1-6H3;16-19,24-25,29H,7-15,21-22H2,1-6H3;12-13,16-17,22-23,27H,6-11,14-15,19-20H2,1-5H3,(H,32,36,37)/b4*35-34+;34-33+
InChIKeyUQLYHZOCQPZJOI-REGWSUMPSA-N
XLogP34.94
TPSA543.03 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds79
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002735.76
LogP ≤ 534.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide?
The IUPAC name of 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide (CID 161165479) is 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide.
What is the SMILES notation for 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide?
The canonical SMILES for 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccc(/N=N/C2C(=O)N(CC)C(=O)C(C#N)=C2C)cc1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(/N=N/C2C(=O)N(CC)C(=O)C(C#N)=C2C)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1cccc(/N=N/C2C(=O)N(N(C)C)C(=O)C(C#N)=C2C)c1.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)N(CC)C(=O)C(C#N)=C1C.CCCCC(CC)CN(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)NC(=O)C(C#N)=C1C.
What is the InChIKey of 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide?
The InChIKey is UQLYHZOCQPZJOI-REGWSUMPSA-N. The full InChI is InChI=1S/C32H48N6O3.3C32H47N5O3.C30H43N5O3/c1-8-12-15-24(10-3)21-37(22-25(11-4)16-13-9-2)30(39)26-17-14-18-27(19-26)34-35-29-23(5)28(20-33)31(40)38(32(29)41)36(6)7;1-7-12-16-24(9-3)21-36(22-25(10-4)17-13-8-2)30(38)26-18-14-15-19-28(26)34-35-29-23(6)27(20-33)31(39)37(11-5)32(29)40;1-7-12-15-24(9-3)21-36(22-25(10-4)16-13-8-2)30(38)26-17-14-18-27(19-26)34-35-29-23(6)28(20-33)31(39)37(11-5)32(29)40;1-7-12-14-24(9-3)21-36(22-25(10-4)15-13-8-2)30(38)26-16-18-27(19-17-26)34-35-29-23(6)28(20-33)31(39)37(11-5)32(29)40;1-6-10-14-22(8-3)19-35(20-23(9-4)15-11-7-2)30(38)24-16-12-13-17-26(24)33-34-27-21(5)25(18-31)28(36)32-29(27)37/h14,17-19,24-25,29H,8-13,15-16,21-22H2,1-7H3;14-15,18-19,24-25,29H,7-13,16-17,21-22H2,1-6H3;14,17-19,24-25,29H,7-13,15-16,21-22H2,1-6H3;16-19,24-25,29H,7-15,21-22H2,1-6H3;12-13,16-17,22-23,27H,6-11,14-15,19-20H2,1-5H3,(H,32,36,37)/b4*35-34+;34-33+.
What are the key properties of 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide?
3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide has a molecular weight of 2735.76 g/mol, XLogP of 34.94, 79 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-cyano-1-(dimethylamino)-4-methyl-2,6-dioxo-3H-pyridin-3-yl]diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;3-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;4-[(5-cyano-1-ethyl-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide is sourced from PubChem (CID 161165479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).