2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid

C24H24N2O6 — CID 20602135

IUPAC2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid
SMILESCOCCOc1ccc(Oc2ccc(CC(=O)Nc3ccc(C)cc3C(=O)O)cn2)cc1
InChIInChI=1S/C24H24N2O6/c1-16-3-9-21(20(13-16)24(28)29)26-22(27)14-17-4-10-23(25-15-17)32-19-7-5-18(6-8-19)31-12-11-30-2/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyACULNIPXSPFZJZ-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.09
Rot. Bonds10

About 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid

2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid (PubChem CID 20602135) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid
PubChem CID20602135
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid
SMILESCOCCOc1ccc(Oc2ccc(CC(=O)Nc3ccc(C)cc3C(=O)O)cn2)cc1
InChIInChI=1S/C24H24N2O6/c1-16-3-9-21(20(13-16)24(28)29)26-22(27)14-17-4-10-23(25-15-17)32-19-7-5-18(6-8-19)31-12-11-30-2/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyACULNIPXSPFZJZ-UHFFFAOYSA-N
XLogP4.09
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 22484910
methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
CID 20602818
2-[[2-[6-[4-[2-(2-methoxyethoxy)ethylsulfinyl]phenoxy]-3-pyridinyl]acetyl]amino]-5-nitrobenzoic acid
CID 20602098
methyl 2-[[2-[6-[4-(2-bromoethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
CID 20602799
methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate
CID 20602808
2-[[2-[6-[4-[(4-cyanophenyl)methoxy]phenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 148775591
2-[[2-[6-[6-(2-cyclohexylethoxy)naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602380
2-[[2-(3-methoxyphenyl)acetyl]amino]-5-methylbenzoic acid
CID 43823093
2-[[2-[6-(4-cyclopentyloxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602350
2-[[2-[6-[4-[(2S)-2-(methoxycarbonylamino)cyclohexyl]oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 59111594
2-[[2-[6-[4-[4-[(2-methylbenzoyl)amino]cyclohexyl]oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602196
N-[4-(2-methoxyethoxy)phenyl]-6-phenoxypyridine-3-carboxamide
CID 87001108

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid (CID 20602135) is 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid is COCCOc1ccc(Oc2ccc(CC(=O)Nc3ccc(C)cc3C(=O)O)cn2)cc1.
What is the InChIKey of 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid?
The InChIKey is ACULNIPXSPFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-16-3-9-21(20(13-16)24(28)29)26-22(27)14-17-4-10-23(25-15-17)32-19-7-5-18(6-8-19)31-12-11-30-2/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid?
2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid has a molecular weight of 436.46 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 20602135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).