2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide

C21H23N5O2 — CID 166281162

About 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide

2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide (PubChem CID 166281162) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide
• PubChem CID: 166281162
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide
• SMILES: CN1CCc2[nH]c(=O)c(CNC(=O)Cc3ccc(-n4ccnc4)cc3)cc2C1
• InChI: InChI=1S/C21H23N5O2/c1-25-8-6-19-17(13-25)11-16(21(28)24-19)12-23-20(27)10-15-2-4-18(5-3-15)26-9-7-22-14-26/h2-5,7,9,11,14H,6,8,10,12-13H2,1H3,(H,23,27)(H,24,28)
• InChIKey: UAMOPGXKGCVNCU-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 83.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide?

The IUPAC name of 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide (CID 166281162) is 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide.

What is the SMILES notation for 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide?

The canonical SMILES for 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide is CN1CCc2[nH]c(=O)c(CNC(=O)Cc3ccc(-n4ccnc4)cc3)cc2C1.

What is the InChIKey of 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide?

The InChIKey is UAMOPGXKGCVNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-8-6-19-17(13-25)11-16(21(28)24-19)12-23-20(27)10-15-2-4-18(5-3-15)26-9-7-22-14-26/h2-5,7,9,11,14H,6,8,10,12-13H2,1H3,(H,23,27)(H,24,28).

What are the key properties of 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide?

2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-imidazol-1-ylphenyl)-N-[(6-methyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-3-yl)methyl]acetamide is sourced from PubChem (CID 166281162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).