actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide

C120H96AcCl6F3N18O10S- — CID 158325846

About actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide

actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide (PubChem CID 158325846) has the molecular formula C120H96AcCl6F3N18O10S- and a molecular weight of 2478.98 g/mol. Its IUPAC name is actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide.

Molecular Properties

• Compound Name: actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide
• PubChem CID: 158325846
• Molecular Formula: C120H96AcCl6F3N18O10S-
• Molecular Weight: 2478.98 g/mol
• Exact Mass: 2474.56
• IUPAC Name: actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide
• SMILES: C/C(=C/NC(=O)c1ccc(-c2ccccc2C)cc1)C(=O)Nc1ccc(Cl)cn1.Cc1cc(Cl)c(NC(=O)c2ccc(-c3ccccc3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.Cc1ccc(NC(=O)c2ccc(-c3ccccc3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.Cc1ccccc1-c1ccc(C(=O)NC2=C(C(=O)Nc3ccc(Cl)cn3)CC[N-]C2)c(F)c1.[Ac].[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C27H20Cl2FN3O2.C27H21ClFN3O2.C25H21ClFN4O2.C23H20ClN3O2.C18H14ClN5O2S.Ac/c1-15-11-21(27(35)32-24-10-8-18(28)14-31-24)25(22(29)12-15)33-26(34)20-9-7-17(13-23(20)30)19-6-4-3-5-16(19)2;1-16-7-11-24(22(13-16)27(34)32-25-12-9-19(28)15-30-25)31-26(33)21-10-8-18(14-23(21)29)20-6-4-3-5-17(20)2;1-15-4-2-3-5-18(15)16-6-8-19(21(27)12-16)24(32)30-22-14-28-11-10-20(22)25(33)31-23-9-7-17(26)13-29-23;1-15-5-3-4-6-20(15)17-7-9-18(10-8-17)23(29)26-13-16(2)22(28)27-21-12-11-19(24)14-25-21;19-12-5-6-14(22-9-12)24-18(26)15-13(7-8-27-15)23-17(25)11-3-1-10(2-4-11)16(20)21;/h3-14H,1-2H3,(H,33,34)(H,31,32,35);3-15H,1-2H3,(H,31,33)(H,30,32,34);2-9,12-13H,10-11,14H2,1H3,(H,30,32)(H,29,31,33);3-14H,1-2H3,(H,26,29)(H,25,27,28);1-9H,(H3,20,21)(H,23,25)(H,22,24,26);/q;;-1;;;/b;;;16-13-
• InChIKey: AVOBRCCYMFMERS-PHESLETOSA-N
• XLogP: 27.80
• TPSA: 419.42 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2478.98
LogP ≤ 5	27.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide?

The IUPAC name of actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide (CID 158325846) is actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide.

What is the SMILES notation for actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide?

The canonical SMILES for actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide is C/C(=C/NC(=O)c1ccc(-c2ccccc2C)cc1)C(=O)Nc1ccc(Cl)cn1.Cc1cc(Cl)c(NC(=O)c2ccc(-c3ccccc3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.Cc1ccc(NC(=O)c2ccc(-c3ccccc3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1.Cc1ccccc1-c1ccc(C(=O)NC2=C(C(=O)Nc3ccc(Cl)cn3)CC[N-]C2)c(F)c1.[Ac].[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide?

The InChIKey is AVOBRCCYMFMERS-PHESLETOSA-N. The full InChI is InChI=1S/C27H20Cl2FN3O2.C27H21ClFN3O2.C25H21ClFN4O2.C23H20ClN3O2.C18H14ClN5O2S.Ac/c1-15-11-21(27(35)32-24-10-8-18(28)14-31-24)25(22(29)12-15)33-26(34)20-9-7-17(13-23(20)30)19-6-4-3-5-16(19)2;1-16-7-11-24(22(13-16)27(34)32-25-12-9-19(28)15-30-25)31-26(33)21-10-8-18(14-23(21)29)20-6-4-3-5-17(20)2;1-15-4-2-3-5-18(15)16-6-8-19(21(27)12-16)24(32)30-22-14-28-11-10-20(22)25(33)31-23-9-7-17(26)13-29-23;1-15-5-3-4-6-20(15)17-7-9-18(10-8-17)23(29)26-13-16(2)22(28)27-21-12-11-19(24)14-25-21;19-12-5-6-14(22-9-12)24-18(26)15-13(7-8-27-15)23-17(25)11-3-1-10(2-4-11)16(20)21;/h3-14H,1-2H3,(H,33,34)(H,31,32,35);3-15H,1-2H3,(H,31,33)(H,30,32,34);2-9,12-13H,10-11,14H2,1H3,(H,30,32)(H,29,31,33);3-14H,1-2H3,(H,26,29)(H,25,27,28);1-9H,(H3,20,21)(H,23,25)(H,22,24,26);/q;;-1;;;/b;;;16-13-;;.

What are the key properties of actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide?

actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide has a molecular weight of 2478.98 g/mol, XLogP of 27.80, 25 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide is sourced from PubChem (CID 158325846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).