N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

C22H22ClN3O3 — CID 22424419

About N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide

N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 22424419) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
• PubChem CID: 22424419
• Molecular Formula: C22H22ClN3O3
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.13
• IUPAC Name: N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
• SMILES: CCC(C)NC(=O)Cn1cc(C(=O)c2cccc(Cl)c2)c(=O)c2ccc(C)nc21
• InChI: InChI=1S/C22H22ClN3O3/c1-4-13(2)24-19(27)12-26-11-18(20(28)15-6-5-7-16(23)10-15)21(29)17-9-8-14(3)25-22(17)26/h5-11,13H,4,12H2,1-3H3,(H,24,27)
• InChIKey: SGSFYKRUUSAXEZ-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?

The IUPAC name of N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 22424419) is N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide.

What is the SMILES notation for N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?

The canonical SMILES for N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is CCC(C)NC(=O)Cn1cc(C(=O)c2cccc(Cl)c2)c(=O)c2ccc(C)nc21.

What is the InChIKey of N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?

The InChIKey is SGSFYKRUUSAXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-4-13(2)24-19(27)12-26-11-18(20(28)15-6-5-7-16(23)10-15)21(29)17-9-8-14(3)25-22(17)26/h5-11,13H,4,12H2,1-3H3,(H,24,27).

What are the key properties of N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide?

N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 411.89 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 22424419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).