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

C127H186N18O14 — CID 162238222

IUPAC2-[(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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate
SMILESCCCCC(CC)CC(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)NC(=O)C(C(=O)OCC)=C1C.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)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/C33H49N3O5.2C32H47N5O3.C30H43N5O3/c1-7-12-16-23(9-3)20-25(21-24(10-4)17-13-8-2)30(37)26-18-14-15-19-27(26)35-36-29-22(6)28(33(40)41-11-5)31(38)34-32(29)39;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;1-6-10-14-22(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/h14-15,18-19,23-25,29H,7-13,16-17,20-21H2,1-6H3,(H,34,38,39);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;12-13,16-17,22-23,27H,6-11,14-15,19-20H2,1-5H3,(H,32,36,37)/b36-35+;2*35-34+;34-33+
InChIKeyZWISQKUEASDYBP-ORYQBSIJSA-N
MW2189.00 g/mol
LogP28.68
Rot. Bonds65

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

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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate (PubChem CID 162238222) has the molecular formula C127H186N18O14 and a molecular weight of 2189.00 g/mol. Its IUPAC name is 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate.

Molecular Properties

Compound Name2-[(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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate
PubChem CID162238222
Molecular FormulaC127H186N18O14
Molecular Weight2189.00 g/mol
Exact Mass2187.44
IUPAC Name2-[(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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate
SMILESCCCCC(CC)CC(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)NC(=O)C(C(=O)OCC)=C1C.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)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/C33H49N3O5.2C32H47N5O3.C30H43N5O3/c1-7-12-16-23(9-3)20-25(21-24(10-4)17-13-8-2)30(37)26-18-14-15-19-27(26)35-36-29-22(6)28(33(40)41-11-5)31(38)34-32(29)39;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;1-6-10-14-22(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/h14-15,18-19,23-25,29H,7-13,16-17,20-21H2,1-6H3,(H,34,38,39);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;12-13,16-17,22-23,27H,6-11,14-15,19-20H2,1-5H3,(H,32,36,37)/b36-35+;2*35-34+;34-33+
InChIKeyZWISQKUEASDYBP-ORYQBSIJSA-N
XLogP28.68
TPSA441.65 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds65
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002189.00
LogP ≤ 528.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate?
The IUPAC name of 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate (CID 162238222) is 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate.
What is the SMILES notation for 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate?
The canonical SMILES for 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate is CCCCC(CC)CC(CC(CC)CCCC)C(=O)c1ccccc1/N=N/C1C(=O)NC(=O)C(C(=O)OCC)=C1C.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)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 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate?
The InChIKey is ZWISQKUEASDYBP-ORYQBSIJSA-N. The full InChI is InChI=1S/C33H49N3O5.2C32H47N5O3.C30H43N5O3/c1-7-12-16-23(9-3)20-25(21-24(10-4)17-13-8-2)30(37)26-18-14-15-19-27(26)35-36-29-22(6)28(33(40)41-11-5)31(38)34-32(29)39;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;1-6-10-14-22(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/h14-15,18-19,23-25,29H,7-13,16-17,20-21H2,1-6H3,(H,34,38,39);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;12-13,16-17,22-23,27H,6-11,14-15,19-20H2,1-5H3,(H,32,36,37)/b36-35+;2*35-34+;34-33+.
What are the key properties of 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate?
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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate has a molecular weight of 2189.00 g/mol, XLogP of 28.68, 65 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-[(5-cyano-4-methyl-2,6-dioxo-3H-pyridin-3-yl)diazenyl]-N,N-bis(2-ethylhexyl)benzamide;ethyl 3-[[2-[4-ethyl-2-(2-ethylhexyl)octanoyl]phenyl]diazenyl]-4-methyl-2,6-dioxo-3H-pyridine-5-carboxylate is sourced from PubChem (CID 162238222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).