5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H28N6O3 — CID 167179049

About 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 167179049) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 167179049
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@@H](CO)C3)cc2[nH]c1=O
• InChI: InChI=1S/C23H28N6O3/c1-3-16-9-20-21(27-22(16)31)8-15(10-25-20)12-28-6-7-29(18(13-28)14-30)17-4-5-19(26-11-17)23(32)24-2/h4-5,8-11,18,30H,3,6-7,12-14H2,1-2H3,(H,24,32)(H,27,31)/t18-/m1/s1
• InChIKey: SGIZNHUWAHMDPG-GOSISDBHSA-N
• XLogP: 0.92
• TPSA: 114.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 167179049) is 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CCN(c4ccc(C(=O)NC)nc4)[C@@H](CO)C3)cc2[nH]c1=O.

What is the InChIKey of 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is SGIZNHUWAHMDPG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-3-16-9-20-21(27-22(16)31)8-15(10-25-20)12-28-6-7-29(18(13-28)14-30)17-4-5-19(26-11-17)23(32)24-2/h4-5,8-11,18,30H,3,6-7,12-14H2,1-2H3,(H,24,32)(H,27,31)/t18-/m1/s1.

What are the key properties of 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?

5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167179049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).