3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

C23H23N3O2 — CID 56886039

About 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide

3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide (PubChem CID 56886039) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
• PubChem CID: 56886039
• Molecular Formula: C23H23N3O2
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.18
• IUPAC Name: 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
• SMILES: Cc1ncc2c(c1CNC(=O)c1cccc(-c3ccc(O)cc3)c1)CCNC2
• InChI: InChI=1S/C23H23N3O2/c1-15-22(21-9-10-24-12-19(21)13-25-15)14-26-23(28)18-4-2-3-17(11-18)16-5-7-20(27)8-6-16/h2-8,11,13,24,27H,9-10,12,14H2,1H3,(H,26,28)
• InChIKey: NFFXEPJYXSNWMX-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 74.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide?

The IUPAC name of 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide (CID 56886039) is 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide.

What is the SMILES notation for 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide?

The canonical SMILES for 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide is Cc1ncc2c(c1CNC(=O)c1cccc(-c3ccc(O)cc3)c1)CCNC2.

What is the InChIKey of 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide?

The InChIKey is NFFXEPJYXSNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-22(21-9-10-24-12-19(21)13-25-15)14-26-23(28)18-4-2-3-17(11-18)16-5-7-20(27)8-6-16/h2-8,11,13,24,27H,9-10,12,14H2,1H3,(H,26,28).

What are the key properties of 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide?

3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide is sourced from PubChem (CID 56886039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).