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

C18H21N3O2 — CID 56904541

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

3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide (PubChem CID 56904541) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
• PubChem CID: 56904541
• Molecular Formula: C18H21N3O2
• Molecular Weight: 311.38 g/mol
• Exact Mass: 311.16
• IUPAC Name: 3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
• SMILES: Cc1ccc(C(=O)NCc2c(C)ncc3c2CCNC3)cc1O
• InChI: InChI=1S/C18H21N3O2/c1-11-3-4-13(7-17(11)22)18(23)21-10-16-12(2)20-9-14-8-19-6-5-15(14)16/h3-4,7,9,19,22H,5-6,8,10H2,1-2H3,(H,21,23)
• InChIKey: KRTUOBMEDMDUAN-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 74.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.38
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide (CID 56904541) is 3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide.

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

The canonical SMILES for 3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2c(C)ncc3c2CCNC3)cc1O.

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

The InChIKey is KRTUOBMEDMDUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-3-4-13(7-17(11)22)18(23)21-10-16-12(2)20-9-14-8-19-6-5-15(14)16/h3-4,7,9,19,22H,5-6,8,10H2,1-2H3,(H,21,23).

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

3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide is sourced from PubChem (CID 56904541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).