N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide

C68H78N20O8 — CID 158886477

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
SMILESC#Cc1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)nc2N2CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2N2CCC(C)CC2)[nH]1
InChIInChI=1S/C24H31N7O2.C23H24N6O3.C21H23N7O3/c1-6-17-13-25-20(26-17)22(32)28-19-8-7-18(16-14-29(4)23(33)30(5)15-16)27-21(19)31-11-9-24(2,3)10-12-31;1-23(2)8-6-13(7-9-23)20-16(27-22(32)21-25-12-17(24-3)28-21)5-4-15(26-20)14-10-18(30)29-19(31)11-14;1-12-5-7-28(8-6-12)20-15(25-21(31)19-23-11-16(22-2)26-19)4-3-14(24-20)13-9-17(29)27-18(30)10-13/h1,7-8,13,16H,9-12,14-15H2,2-5H3,(H,25,26)(H,28,32);4-6,12,14H,7-11H2,1-2H3,(H,25,28)(H,27,32)(H,29,30,31);3-4,11-13H,5-10H2,1H3,(H,23,26)(H,25,31)(H,27,29,30)
InChIKeyJDRSKVYANLQAJA-UHFFFAOYSA-N
MW1303.50 g/mol
LogP8.83
Rot. Bonds12

About N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 158886477) has the molecular formula C68H78N20O8 and a molecular weight of 1303.50 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
PubChem CID158886477
Molecular FormulaC68H78N20O8
Molecular Weight1303.50 g/mol
Exact Mass1302.63
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide
SMILESC#Cc1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)nc2N2CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2N2CCC(C)CC2)[nH]1
InChIInChI=1S/C24H31N7O2.C23H24N6O3.C21H23N7O3/c1-6-17-13-25-20(26-17)22(32)28-19-8-7-18(16-14-29(4)23(33)30(5)15-16)27-21(19)31-11-9-24(2,3)10-12-31;1-23(2)8-6-13(7-9-23)20-16(27-22(32)21-25-12-17(24-3)28-21)5-4-15(26-20)14-10-18(30)29-19(31)11-14;1-12-5-7-28(8-6-12)20-15(25-21(31)19-23-11-16(22-2)26-19)4-3-14(24-20)13-9-17(29)27-18(30)10-13/h1,7-8,13,16H,9-12,14-15H2,2-5H3,(H,25,26)(H,28,32);4-6,12,14H,7-11H2,1-2H3,(H,25,28)(H,27,32)(H,29,30,31);3-4,11-13H,5-10H2,1H3,(H,23,26)(H,25,31)(H,27,29,30)
InChIKeyJDRSKVYANLQAJA-UHFFFAOYSA-N
XLogP8.83
TPSA343.10 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001303.50
LogP ≤ 58.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 158886477) is N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3CN(C)C(=O)N(C)C3)nc2N2CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2C2=CCC(C)(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)nc2N2CCC(C)CC2)[nH]1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?
The InChIKey is JDRSKVYANLQAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2.C23H24N6O3.C21H23N7O3/c1-6-17-13-25-20(26-17)22(32)28-19-8-7-18(16-14-29(4)23(33)30(5)15-16)27-21(19)31-11-9-24(2,3)10-12-31;1-23(2)8-6-13(7-9-23)20-16(27-22(32)21-25-12-17(24-3)28-21)5-4-15(26-20)14-10-18(30)29-19(31)11-14;1-12-5-7-28(8-6-12)20-15(25-21(31)19-23-11-16(22-2)26-19)4-3-14(24-20)13-9-17(29)27-18(30)10-13/h1,7-8,13,16H,9-12,14-15H2,2-5H3,(H,25,26)(H,28,32);4-6,12,14H,7-11H2,1-2H3,(H,25,28)(H,27,32)(H,29,30,31);3-4,11-13H,5-10H2,1H3,(H,23,26)(H,25,31)(H,27,29,30).
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide?
N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1303.50 g/mol, XLogP of 8.83, 12 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[6-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)-3-pyridinyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 158886477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).