methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate

C32H25ClN2O5 — CID 20602835

About methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate

methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate (PubChem CID 20602835) has the molecular formula C32H25ClN2O5 and a molecular weight of 553.01 g/mol. Its IUPAC name is methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate.

Molecular Properties

• Compound Name: methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
• PubChem CID: 20602835
• Molecular Formula: C32H25ClN2O5
• Molecular Weight: 553.01 g/mol
• Exact Mass: 552.15
• IUPAC Name: methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
• SMILES: COC(=O)c1cc(Cl)ccc1NC(=O)Cc1ccc(Oc2ccc3cc(OCc4ccccc4)ccc3c2)nc1
• InChI: InChI=1S/C32H25ClN2O5/c1-38-32(37)28-18-25(33)10-13-29(28)35-30(36)15-22-7-14-31(34-19-22)40-27-12-9-23-16-26(11-8-24(23)17-27)39-20-21-5-3-2-4-6-21/h2-14,16-19H,15,20H2,1H3,(H,35,36)
• InChIKey: SDASKVUYGJARFS-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.01
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate?

The IUPAC name of methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate (CID 20602835) is methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate.

What is the SMILES notation for methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate?

The canonical SMILES for methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)Cc1ccc(Oc2ccc3cc(OCc4ccccc4)ccc3c2)nc1.

What is the InChIKey of methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate?

The InChIKey is SDASKVUYGJARFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN2O5/c1-38-32(37)28-18-25(33)10-13-29(28)35-30(36)15-22-7-14-31(34-19-22)40-27-12-9-23-16-26(11-8-24(23)17-27)39-20-21-5-3-2-4-6-21/h2-14,16-19H,15,20H2,1H3,(H,35,36).

What are the key properties of methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate?

methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate has a molecular weight of 553.01 g/mol, XLogP of 7.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate is sourced from PubChem (CID 20602835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).