methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate

C30H30N2O5 — CID 20602820

IUPACmethyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
SMILESCCC(CC)Oc1ccc2cc(Oc3ccc(CC(=O)Nc4ccccc4C(=O)OC)cn3)ccc2c1
InChIInChI=1S/C30H30N2O5/c1-4-23(5-2)36-24-13-11-22-18-25(14-12-21(22)17-24)37-29-15-10-20(19-31-29)16-28(33)32-27-9-7-6-8-26(27)30(34)35-3/h6-15,17-19,23H,4-5,16H2,1-3H3,(H,32,33)
InChIKeyFUSZMMJAZHBOOT-UHFFFAOYSA-N
MW498.58 g/mol
LogP6.56
Rot. Bonds10

About methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate

methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate (PubChem CID 20602820) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
PubChem CID20602820
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Namemethyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
SMILESCCC(CC)Oc1ccc2cc(Oc3ccc(CC(=O)Nc4ccccc4C(=O)OC)cn3)ccc2c1
InChIInChI=1S/C30H30N2O5/c1-4-23(5-2)36-24-13-11-22-18-25(14-12-21(22)17-24)37-29-15-10-20(19-31-29)16-28(33)32-27-9-7-6-8-26(27)30(34)35-3/h6-15,17-19,23H,4-5,16H2,1-3H3,(H,32,33)
InChIKeyFUSZMMJAZHBOOT-UHFFFAOYSA-N
XLogP6.56
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate with MolForge

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Related Compounds

tert-butyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602861
methyl 2-[[2-[6-[6-[2-(4-fluorophenyl)ethoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602823
methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602830
methyl 2-[[2-[6-[6-[(E)-but-2-enoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602840
2-[[2-[6-(2-chloro-4-pentan-3-yloxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602020
methyl 2-[[2-[6-[4-(2-bromoethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
CID 20602799
2-[[2-[6-(4-pentan-3-yloxy-2-propan-2-ylphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602070
methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
CID 20602818
methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602835
2-[[2-[6-(6-pent-2-enoylnaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoic acid
CID 91018342
2-[[2-[6-[6-(5-methylhex-4-enoxy)naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602444
2-[[2-[6-(4-pentan-3-ylsulfonylphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602078

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate (CID 20602820) is methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate is CCC(CC)Oc1ccc2cc(Oc3ccc(CC(=O)Nc4ccccc4C(=O)OC)cn3)ccc2c1.
What is the InChIKey of methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate?
The InChIKey is FUSZMMJAZHBOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-4-23(5-2)36-24-13-11-22-18-25(14-12-21(22)17-24)37-29-15-10-20(19-31-29)16-28(33)32-27-9-7-6-8-26(27)30(34)35-3/h6-15,17-19,23H,4-5,16H2,1-3H3,(H,32,33).
What are the key properties of methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate?
methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate has a molecular weight of 498.58 g/mol, XLogP of 6.56, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate is sourced from PubChem (CID 20602820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).