4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide

C22H23N3O4 — CID 87050548

About 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide

4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide (PubChem CID 87050548) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
• PubChem CID: 87050548
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(C)o3)c2=O)cc1
• InChI: InChI=1S/C22H23N3O4/c1-14-4-8-17(9-5-14)21(27)24-19-11-6-15(2)25(22(19)28)13-20(26)23-12-18-10-7-16(3)29-18/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,27)
• InChIKey: RDUCDVWPUAHZEB-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 93.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide?

The IUPAC name of 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide (CID 87050548) is 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide.

What is the SMILES notation for 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide?

The canonical SMILES for 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(C)n(CC(=O)NCc3ccc(C)o3)c2=O)cc1.

What is the InChIKey of 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide?

The InChIKey is RDUCDVWPUAHZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-4-8-17(9-5-14)21(27)24-19-11-6-15(2)25(22(19)28)13-20(26)23-12-18-10-7-16(3)29-18/h4-11H,12-13H2,1-3H3,(H,23,26)(H,24,27).

What are the key properties of 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide?

4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 87050548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).