N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane

C130H178N26O8 — CID 158080814

About N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane

N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane (PubChem CID 158080814) has the molecular formula C130H178N26O8 and a molecular weight of 2233.03 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane.

Molecular Properties

• Compound Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane
• PubChem CID: 158080814
• Molecular Formula: C130H178N26O8
• Molecular Weight: 2233.03 g/mol
• Exact Mass: 2231.43
• IUPAC Name: N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane
• SMILES: C.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCN(C)CC3)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCOCC3)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCOC)nc2C2=CCC(C)(C)CC2)[nH]1.CCN(C)CCCc1ccc(NC(=O)c2ccc(C)o2)c(N2CCC(C)CC2)c1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)(C)N3CCN(CC)CC3)nc2C2=CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C27H37N7O.C27H36N6O.C26H33N5O2.C25H33N5O2.C24H35N3O2.CH4/c1-7-33-14-16-34(17-15-33)27(4,5)21-9-8-20(30-25(35)24-29-18-22(28-6)32-24)23(31-21)19-10-12-26(2,3)13-11-19;1-7-20-18-28-24(29-20)25(34)30-21-8-9-22(27(4,5)33-16-14-32(6)15-17-33)31-23(21)19-10-12-26(2,3)13-11-19;1-6-19-17-27-23(28-19)24(32)29-20-7-8-21(26(4,5)31-13-15-33-16-14-31)30-22(20)18-9-11-25(2,3)12-10-18;1-7-18-16-26-22(28-18)23(31)29-19-8-9-20(25(4,5)27-14-15-32-6)30-21(19)17-10-12-24(2,3)13-11-17;1-5-26(4)14-6-7-20-9-10-21(25-24(28)23-11-8-19(3)29-23)22(17-20)27-15-12-18(2)13-16-27;/h8-10,18H,7,11-17H2,1-5H3,(H,29,32)(H,30,35);1,8-10,18H,11-17H2,2-6H3,(H,28,29)(H,30,34);1,7-9,17H,10-16H2,2-5H3,(H,27,28)(H,29,32);1,8-10,16,27H,11-15H2,2-6H3,(H,26,28)(H,29,31);8-11,17-18H,5-7,12-16H2,1-4H3,(H,25,28);1H4
• InChIKey: FMXWMBYTHGECAW-UHFFFAOYSA-N
• XLogP: 23.09
• TPSA: 382.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2233.03
LogP ≤ 5	23.09
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane?

The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane (CID 158080814) is N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane.

What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane?

The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane is C.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCN(C)CC3)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCOCC3)nc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCOC)nc2C2=CCC(C)(C)CC2)[nH]1.CCN(C)CCCc1ccc(NC(=O)c2ccc(C)o2)c(N2CCC(C)CC2)c1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C(C)(C)N3CCN(CC)CC3)nc2C2=CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane?

The InChIKey is FMXWMBYTHGECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O.C27H36N6O.C26H33N5O2.C25H33N5O2.C24H35N3O2.CH4/c1-7-33-14-16-34(17-15-33)27(4,5)21-9-8-20(30-25(35)24-29-18-22(28-6)32-24)23(31-21)19-10-12-26(2,3)13-11-19;1-7-20-18-28-24(29-20)25(34)30-21-8-9-22(27(4,5)33-16-14-32(6)15-17-33)31-23(21)19-10-12-26(2,3)13-11-19;1-6-19-17-27-23(28-19)24(32)29-20-7-8-21(26(4,5)31-13-15-33-16-14-31)30-22(20)18-9-11-25(2,3)12-10-18;1-7-18-16-26-22(28-18)23(31)29-19-8-9-20(25(4,5)27-14-15-32-6)30-21(19)17-10-12-24(2,3)13-11-17;1-5-26(4)14-6-7-20-9-10-21(25-24(28)23-11-8-19(3)29-23)22(17-20)27-15-12-18(2)13-16-27;/h8-10,18H,7,11-17H2,1-5H3,(H,29,32)(H,30,35);1,8-10,18H,11-17H2,2-6H3,(H,28,29)(H,30,34);1,7-9,17H,10-16H2,2-5H3,(H,27,28)(H,29,32);1,8-10,16,27H,11-15H2,2-6H3,(H,26,28)(H,29,31);8-11,17-18H,5-7,12-16H2,1-4H3,(H,25,28);1H4.

What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane?

N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane has a molecular weight of 2233.03 g/mol, XLogP of 23.09, 32 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-ethylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(4-methylpiperazin-1-yl)propan-2-yl]-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[4-[3-[ethyl(methyl)amino]propyl]-2-(4-methylpiperidin-1-yl)phenyl]-5-methylfuran-2-carboxamide;methane is sourced from PubChem (CID 158080814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).