5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide

C23H28N6O2 — CID 171444980

About 5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide

5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 171444980) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide
• PubChem CID: 171444980
• Molecular Formula: C23H28N6O2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.23
• IUPAC Name: 5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3CC(CNc4ccc(C(=O)NC)nc4C)C3)cc2[nH]c1=O
• InChI: InChI=1S/C23H28N6O2/c1-4-17-8-20-21(28-22(17)30)7-15(9-26-20)11-29-12-16(13-29)10-25-18-5-6-19(23(31)24-3)27-14(18)2/h5-9,16,25H,4,10-13H2,1-3H3,(H,24,31)(H,28,30)
• InChIKey: QTNQFSLYWIRVSW-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.52
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide (CID 171444980) is 5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide.

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

The canonical SMILES for 5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC(CNc4ccc(C(=O)NC)nc4C)C3)cc2[nH]c1=O.

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

The InChIKey is QTNQFSLYWIRVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-4-17-8-20-21(28-22(17)30)7-15(9-26-20)11-29-12-16(13-29)10-25-18-5-6-19(23(31)24-3)27-14(18)2/h5-9,16,25H,4,10-13H2,1-3H3,(H,24,31)(H,28,30).

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

5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]methylamino]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 171444980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).