5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide

C25H30N6O2 — CID 171444918

About 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide

5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 171444918) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide
• PubChem CID: 171444918
• Molecular Formula: C25H30N6O2
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.24
• IUPAC Name: 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3CC4CCC(C3)N4c3ccc(C(=O)NC)nc3C)cc2[nH]c1=O
• InChI: InChI=1S/C25H30N6O2/c1-4-17-10-21-22(29-24(17)32)9-16(11-27-21)12-30-13-18-5-6-19(14-30)31(18)23-8-7-20(25(33)26-3)28-15(23)2/h7-11,18-19H,4-6,12-14H2,1-3H3,(H,26,33)(H,29,32)
• InChIKey: KKABRULHOIDJBY-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide?

The IUPAC name of 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide (CID 171444918) is 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide.

What is the SMILES notation for 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide?

The canonical SMILES for 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC4CCC(C3)N4c3ccc(C(=O)NC)nc3C)cc2[nH]c1=O.

What is the InChIKey of 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide?

The InChIKey is KKABRULHOIDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-4-17-10-21-22(29-24(17)32)9-16(11-27-21)12-30-13-18-5-6-19(14-30)31(18)23-8-7-20(25(33)26-3)28-15(23)2/h7-11,18-19H,4-6,12-14H2,1-3H3,(H,26,33)(H,29,32).

What are the key properties of 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide?

5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 171444918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).