2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide

C24H23ClN6O2 — CID 159184145

About 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide

2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide (PubChem CID 159184145) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide
• PubChem CID: 159184145
• Molecular Formula: C24H23ClN6O2
• Molecular Weight: 462.94 g/mol
• Exact Mass: 462.16
• IUPAC Name: 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide
• SMILES: CCOc1ccc(-c2ccc(NC(=O)C(C)(C)c3cccc(Cl)c3)cc2-c2nn[nH]n2)cn1
• InChI: InChI=1S/C24H23ClN6O2/c1-4-33-21-11-8-15(14-26-21)19-10-9-18(13-20(19)22-28-30-31-29-22)27-23(32)24(2,3)16-6-5-7-17(25)12-16/h5-14H,4H2,1-3H3,(H,27,32)(H,28,29,30,31)
• InChIKey: KNGRCSTWJJVHDU-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 105.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.94
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide (CID 159184145) is 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide is CCOc1ccc(-c2ccc(NC(=O)C(C)(C)c3cccc(Cl)c3)cc2-c2nn[nH]n2)cn1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide?

The InChIKey is KNGRCSTWJJVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-4-33-21-11-8-15(14-26-21)19-10-9-18(13-20(19)22-28-30-31-29-22)27-23(32)24(2,3)16-6-5-7-17(25)12-16/h5-14H,4H2,1-3H3,(H,27,32)(H,28,29,30,31).

What are the key properties of 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide?

2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide has a molecular weight of 462.94 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 159184145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).