N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide

C23H21ClFN3O2S — CID 42380963

About N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide

N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 42380963) has the molecular formula C23H21ClFN3O2S and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
• PubChem CID: 42380963
• Molecular Formula: C23H21ClFN3O2S
• Molecular Weight: 457.96 g/mol
• Exact Mass: 457.10
• IUPAC Name: N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide
• SMILES: Cc1ncc2c(c1CNC(=O)Cc1cccs1)CCN(C(=O)c1ccc(F)c(Cl)c1)C2
• InChI: InChI=1S/C23H21ClFN3O2S/c1-14-19(12-27-22(29)10-17-3-2-8-31-17)18-6-7-28(13-16(18)11-26-14)23(30)15-4-5-21(25)20(24)9-15/h2-5,8-9,11H,6-7,10,12-13H2,1H3,(H,27,29)
• InChIKey: SOUGFYXBOIUYED-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.96
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide (CID 42380963) is N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide is Cc1ncc2c(c1CNC(=O)Cc1cccs1)CCN(C(=O)c1ccc(F)c(Cl)c1)C2.

What is the InChIKey of N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide?

The InChIKey is SOUGFYXBOIUYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O2S/c1-14-19(12-27-22(29)10-17-3-2-8-31-17)18-6-7-28(13-16(18)11-26-14)23(30)15-4-5-21(25)20(24)9-15/h2-5,8-9,11H,6-7,10,12-13H2,1H3,(H,27,29).

What are the key properties of N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide?

N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 457.96 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(3-chloro-4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42380963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).