5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

C23H26N6O3 — CID 71073160

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3CC(=O)NC(=O)C3)ccc2NC(=O)C2=NCC(C#N)N2)CC1
InChIInChI=1S/C23H26N6O3/c1-23(2)7-5-13(6-8-23)20-17(28-22(32)21-25-12-15(11-24)26-21)4-3-16(27-20)14-9-18(30)29-19(31)10-14/h3-5,14-15H,6-10,12H2,1-2H3,(H,25,26)(H,28,32)(H,29,30,31)
InChIKeyHVENPFNXFYKUAE-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.03
Rot. Bonds4

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 71073160) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
PubChem CID71073160
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3CC(=O)NC(=O)C3)ccc2NC(=O)C2=NCC(C#N)N2)CC1
InChIInChI=1S/C23H26N6O3/c1-23(2)7-5-13(6-8-23)20-17(28-22(32)21-25-12-15(11-24)26-21)4-3-16(27-20)14-9-18(30)29-19(31)10-14/h3-5,14-15H,6-10,12H2,1-2H3,(H,25,26)(H,28,32)(H,29,30,31)
InChIKeyHVENPFNXFYKUAE-UHFFFAOYSA-N
XLogP2.03
TPSA136.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 71073160) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2nc(C3CC(=O)NC(=O)C3)ccc2NC(=O)C2=NCC(C#N)N2)CC1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
The InChIKey is HVENPFNXFYKUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-23(2)7-5-13(6-8-23)20-17(28-22(32)21-25-12-15(11-24)26-21)4-3-16(27-20)14-9-18(30)29-19(31)10-14/h3-5,14-15H,6-10,12H2,1-2H3,(H,25,26)(H,28,32)(H,29,30,31).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,6-dioxopiperidin-4-yl)-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71073160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).