6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide

C25H30N4O2 — CID 134804109

About 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide

6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 134804109) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
• PubChem CID: 134804109
• Molecular Formula: C25H30N4O2
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.24
• IUPAC Name: 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
• SMILES: O=C(NCCc1ccccc1)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1
• InChI: InChI=1S/C25H30N4O2/c30-24-8-4-7-22-21-13-19(16-29(22)24)15-28(17-21)23-10-9-20(14-27-23)25(31)26-12-11-18-5-2-1-3-6-18/h1-3,5-6,9-10,14,19,21-22H,4,7-8,11-13,15-17H2,(H,26,31)/t19?,21?,22-/m1/s1
• InChIKey: LSMGJEPGKKZTRK-KITAHSCOSA-N
• XLogP: 2.89
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?

The IUPAC name of 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide (CID 134804109) is 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)nc1.

What is the InChIKey of 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?

The InChIKey is LSMGJEPGKKZTRK-KITAHSCOSA-N. The full InChI is InChI=1S/C25H30N4O2/c30-24-8-4-7-22-21-13-19(16-29(22)24)15-28(17-21)23-10-9-20(14-27-23)25(31)26-12-11-18-5-2-1-3-6-18/h1-3,5-6,9-10,14,19,21-22H,4,7-8,11-13,15-17H2,(H,26,31)/t19?,21?,22-/m1/s1.

What are the key properties of 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide?

6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 134804109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).