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

C24H34N6O2 — CID 71164541

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

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (PubChem CID 71164541) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
• PubChem CID: 71164541
• Molecular Formula: C24H34N6O2
• Molecular Weight: 438.58 g/mol
• Exact Mass: 438.27
• IUPAC Name: 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide
• SMILES: COCCNC(C)(C)c1ccc(NC(=O)C2=NCC(C#N)N2)c(C2=CCC(C)(C)CC2)n1
• InChI: InChI=1S/C24H34N6O2/c1-23(2)10-8-16(9-11-23)20-18(29-22(31)21-26-15-17(14-25)28-21)6-7-19(30-20)24(3,4)27-12-13-32-5/h6-8,17,27H,9-13,15H2,1-5H3,(H,26,28)(H,29,31)
• InChIKey: MWTZENMUHYGDSK-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 111.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.58
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-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-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide (CID 71164541) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-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-(2-methoxyethylamino)propan-2-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-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is COCCNC(C)(C)c1ccc(NC(=O)C2=NCC(C#N)N2)c(C2=CCC(C)(C)CC2)n1.

What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?

The InChIKey is MWTZENMUHYGDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-23(2)10-8-16(9-11-23)20-18(29-22(31)21-26-15-17(14-25)28-21)6-7-19(30-20)24(3,4)27-12-13-32-5/h6-8,17,27H,9-13,15H2,1-5H3,(H,26,28)(H,29,31).

What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide?

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-[2-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 2.98, 8 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-(2-methoxyethylamino)propan-2-yl]-3-pyridinyl]-4,5-dihydro-1H-imidazole-2-carboxamide is sourced from PubChem (CID 71164541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).