1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide

C30H44N4O3 — CID 155296577

About 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide

1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide (PubChem CID 155296577) has the molecular formula C30H44N4O3 and a molecular weight of 508.71 g/mol. Its IUPAC name is 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide
• PubChem CID: 155296577
• Molecular Formula: C30H44N4O3
• Molecular Weight: 508.71 g/mol
• Exact Mass: 508.34
• IUPAC Name: 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide
• SMILES: CCCCCCCCCN1OC(CC)NC1c1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(=O)n(CC)c1
• InChI: InChI=1S/C30H44N4O3/c1-4-7-8-9-10-11-12-19-34-29(32-27(5-2)37-34)23-13-16-25-22(20-23)14-17-26(25)31-30(36)24-15-18-28(35)33(6-3)21-24/h13,15-16,18,20-21,26-27,29,32H,4-12,14,17,19H2,1-3H3,(H,31,36)/t26-,27?,29?/m1/s1
• InChIKey: LCJHEKODGQRQNN-JTENNJLISA-N
• XLogP: 5.61
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.71
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide (CID 155296577) is 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide is CCCCCCCCCN1OC(CC)NC1c1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(=O)n(CC)c1.

What is the InChIKey of 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide?

The InChIKey is LCJHEKODGQRQNN-JTENNJLISA-N. The full InChI is InChI=1S/C30H44N4O3/c1-4-7-8-9-10-11-12-19-34-29(32-27(5-2)37-34)23-13-16-25-22(20-23)14-17-26(25)31-30(36)24-15-18-28(35)33(6-3)21-24/h13,15-16,18,20-21,26-27,29,32H,4-12,14,17,19H2,1-3H3,(H,31,36)/t26-,27?,29?/m1/s1.

What are the key properties of 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide?

1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 508.71 g/mol, XLogP of 5.61, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[(1R)-5-(5-ethyl-2-nonyl-1,2,4-oxadiazolidin-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 155296577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).