6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

C24H24N2O7 — CID 11476499

IUPAC6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(Oc2ccc(OC)cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C24H24N2O7/c1-15(14-30-2)32-20-10-17(23(27)26-22-9-4-16(13-25-22)24(28)29)11-21(12-20)33-19-7-5-18(31-3)6-8-19/h4-13,15H,14H2,1-3H3,(H,28,29)(H,25,26,27)/t15-/m0/s1
InChIKeyZMYYUFQYPUGZNJ-HNNXBMFYSA-N
MW452.46 g/mol
LogP4.25
Rot. Bonds10

About 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 11476499) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID11476499
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC Name6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(Oc2ccc(OC)cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C24H24N2O7/c1-15(14-30-2)32-20-10-17(23(27)26-22-9-4-16(13-25-22)24(28)29)11-21(12-20)33-19-7-5-18(31-3)6-8-19/h4-13,15H,14H2,1-3H3,(H,28,29)(H,25,26,27)/t15-/m0/s1
InChIKeyZMYYUFQYPUGZNJ-HNNXBMFYSA-N
XLogP4.25
TPSA116.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (CID 11476499) is 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is COC[C@H](C)Oc1cc(Oc2ccc(OC)cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is ZMYYUFQYPUGZNJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H24N2O7/c1-15(14-30-2)32-20-10-17(23(27)26-22-9-4-16(13-25-22)24(28)29)11-21(12-20)33-19-7-5-18(31-3)6-8-19/h4-13,15H,14H2,1-3H3,(H,28,29)(H,25,26,27)/t15-/m0/s1.
What are the key properties of 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 452.46 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-methoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11476499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).