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

C23H28N6O2 — CID 171487955

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

5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 171487955) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide
• PubChem CID: 171487955
• Molecular Formula: C23H28N6O2
• Molecular Weight: 420.52 g/mol
• Exact Mass: 420.23
• IUPAC Name: 5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3CC(N(CC)c4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
• InChI: InChI=1S/C23H28N6O2/c1-4-16-9-20-21(27-22(16)30)8-15(10-25-20)12-28-13-18(14-28)29(5-2)17-6-7-19(26-11-17)23(31)24-3/h6-11,18H,4-5,12-14H2,1-3H3,(H,24,31)(H,27,30)
• InChIKey: IUNQSYWTTNOFJJ-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• 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	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide (CID 171487955) is 5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide.

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

The canonical SMILES for 5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC(N(CC)c4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O.

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

The InChIKey is IUNQSYWTTNOFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-4-16-9-20-21(27-22(16)30)8-15(10-25-20)12-28-13-18(14-28)29(5-2)17-6-7-19(26-11-17)23(31)24-3/h6-11,18H,4-5,12-14H2,1-3H3,(H,24,31)(H,27,30).

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

5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[ethyl-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]azetidin-3-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171487955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).