1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

C30H44N4O3 — CID 51359398

About 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (PubChem CID 51359398) has the molecular formula C30H44N4O3 and a molecular weight of 508.71 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
• PubChem CID: 51359398
• Molecular Formula: C30H44N4O3
• Molecular Weight: 508.71 g/mol
• Exact Mass: 508.34
• IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
• SMILES: CC1=C(C(=O)N(C(C)C)C(C)C)CC(CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1
• InChI: InChI=1S/C30H44N4O3/c1-21(2)34(22(3)4)30(37)27-19-25(20-28(35)32-17-14-26-13-9-10-16-31-26)29(36)33(23(27)5)18-15-24-11-7-6-8-12-24/h9-11,13,16,21-22,25H,6-8,12,14-15,17-20H2,1-5H3,(H,32,35)
• InChIKey: QECLMZRRNOHOII-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.71
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?

The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (CID 51359398) is 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?

The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C(C)C)C(C)C)CC(CC(=O)NCCc2ccccn2)C(=O)N1CCC1=CCCCC1.

What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?

The InChIKey is QECLMZRRNOHOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N4O3/c1-21(2)34(22(3)4)30(37)27-19-25(20-28(35)32-17-14-26-13-9-10-16-31-26)29(36)33(23(27)5)18-15-24-11-7-6-8-12-24/h9-11,13,16,21-22,25H,6-8,12,14-15,17-20H2,1-5H3,(H,32,35).

What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?

1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide has a molecular weight of 508.71 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 51359398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).