N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

C130H159N19O12S4 — CID 159646547

About N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile (PubChem CID 159646547) has the molecular formula C130H159N19O12S4 and a molecular weight of 2308.09 g/mol. Its IUPAC name is N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
• PubChem CID: 159646547
• Molecular Formula: C130H159N19O12S4
• Molecular Weight: 2308.09 g/mol
• Exact Mass: 2306.13
• IUPAC Name: N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile
• SMILES: CCCCC(CC)CN(CC(CC)CCCC)c1nc(C(C)(C)C)c(/C=C2\C(=O)N(N(C)C(=O)C(C)(C)C)C(=O)C(C#N)=C2CCC)s1.CCCCN(CCCC)c1nc(-c2ccccc2)c(/C=C2\C(=O)N(N(C(C)=O)C(=O)c3ccccc3)C(=O)C(C#N)=C2C)s1.CCCCN(CCCC)c1nc(-c2ccccc2)c(/C=C2\C(=O)N(NC(=O)c3ccccc3)C(=O)C(C#N)=C2C)s1.CCCCN(CCCC)c1nc(-c2ccccc2)c(/C=C2\C(=O)NC(=O)C(C#N)=C2C)s1
• InChI: InChI=1S/C39H63N5O3S.C34H35N5O4S.C32H33N5O3S.C25H28N4O2S/c1-13-18-21-27(16-4)25-43(26-28(17-5)22-19-14-2)37-41-33(38(6,7)8)32(48-37)23-30-29(20-15-3)31(24-40)35(46)44(34(30)45)42(12)36(47)39(9,10)11;1-5-7-19-37(20-8-6-2)34-36-30(25-15-11-9-12-16-25)29(44-34)21-27-23(3)28(22-35)33(43)39(32(27)42)38(24(4)40)31(41)26-17-13-10-14-18-26;1-4-6-18-36(19-7-5-2)32-34-28(23-14-10-8-11-15-23)27(41-32)20-25-22(3)26(21-33)31(40)37(30(25)39)35-29(38)24-16-12-9-13-17-24;1-4-6-13-29(14-7-5-2)25-27-22(18-11-9-8-10-12-18)21(32-25)15-19-17(3)20(16-26)24(31)28-23(19)30/h23,27-28H,13-22,25-26H2,1-12H3;9-18,21H,5-8,19-20H2,1-4H3;8-17,20H,4-7,18-19H2,1-3H3,(H,35,38);8-12,15H,4-7,13-14H2,1-3H3,(H,28,30,31)/b30-23-;27-21-;25-20-;19-15-
• InChIKey: MRALDOOESDHTGM-ZMJVUOBVSA-N
• XLogP: 27.14
• TPSA: 404.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 48
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2308.09
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyano_pyridone_C(11)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?

The IUPAC name of N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile (CID 159646547) is N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile.

What is the SMILES notation for N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?

The canonical SMILES for N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is CCCCC(CC)CN(CC(CC)CCCC)c1nc(C(C)(C)C)c(/C=C2\C(=O)N(N(C)C(=O)C(C)(C)C)C(=O)C(C#N)=C2CCC)s1.CCCCN(CCCC)c1nc(-c2ccccc2)c(/C=C2\C(=O)N(N(C(C)=O)C(=O)c3ccccc3)C(=O)C(C#N)=C2C)s1.CCCCN(CCCC)c1nc(-c2ccccc2)c(/C=C2\C(=O)N(NC(=O)c3ccccc3)C(=O)C(C#N)=C2C)s1.CCCCN(CCCC)c1nc(-c2ccccc2)c(/C=C2\C(=O)NC(=O)C(C#N)=C2C)s1.

What is the InChIKey of N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?

The InChIKey is MRALDOOESDHTGM-ZMJVUOBVSA-N. The full InChI is InChI=1S/C39H63N5O3S.C34H35N5O4S.C32H33N5O3S.C25H28N4O2S/c1-13-18-21-27(16-4)25-43(26-28(17-5)22-19-14-2)37-41-33(38(6,7)8)32(48-37)23-30-29(20-15-3)31(24-40)35(46)44(34(30)45)42(12)36(47)39(9,10)11;1-5-7-19-37(20-8-6-2)34-36-30(25-15-11-9-12-16-25)29(44-34)21-27-23(3)28(22-35)33(43)39(32(27)42)38(24(4)40)31(41)26-17-13-10-14-18-26;1-4-6-18-36(19-7-5-2)32-34-28(23-14-10-8-11-15-23)27(41-32)20-25-22(3)26(21-33)31(40)37(30(25)39)35-29(38)24-16-12-9-13-17-24;1-4-6-13-29(14-7-5-2)25-27-22(18-11-9-8-10-12-18)21(32-25)15-19-17(3)20(16-26)24(31)28-23(19)30/h23,27-28H,13-22,25-26H2,1-12H3;9-18,21H,5-8,19-20H2,1-4H3;8-17,20H,4-7,18-19H2,1-3H3,(H,35,38);8-12,15H,4-7,13-14H2,1-3H3,(H,28,30,31)/b30-23-;27-21-;25-20-;19-15-.

What are the key properties of N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile?

N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile has a molecular weight of 2308.09 g/mol, XLogP of 27.14, 48 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-acetyl-N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;N-[(3Z)-3-[[2-[bis(2-ethylhexyl)amino]-4-tert-butyl-1,3-thiazol-5-yl]methylidene]-5-cyano-2,6-dioxo-4-propyl-1-pyridinyl]-N,2,2-trimethylpropanamide;N-[(5Z)-3-cyano-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxo-1-pyridinyl]benzamide;(5Z)-5-[[2-(dibutylamino)-4-phenyl-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile is sourced from PubChem (CID 159646547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).