6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

C26H26F2N2O6 — CID 11477557

IUPAC6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(O[C@@H](C)Cc2cc(F)cc(F)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C26H26F2N2O6/c1-15(6-17-7-20(27)11-21(28)8-17)35-22-9-19(10-23(12-22)36-16(2)14-34-3)25(31)30-24-5-4-18(13-29-24)26(32)33/h4-5,7-13,15-16H,6,14H2,1-3H3,(H,32,33)(H,29,30,31)/t15-,16-/m0/s1
InChIKeyHWRHBCYTRFVQSX-HOTGVXAUSA-N
MW500.50 g/mol
LogP4.73
Rot. Bonds11

About 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 11477557) has the molecular formula C26H26F2N2O6 and a molecular weight of 500.50 g/mol. Its IUPAC name is 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID11477557
Molecular FormulaC26H26F2N2O6
Molecular Weight500.50 g/mol
Exact Mass500.18
IUPAC Name6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(O[C@@H](C)Cc2cc(F)cc(F)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C26H26F2N2O6/c1-15(6-17-7-20(27)11-21(28)8-17)35-22-9-19(10-23(12-22)36-16(2)14-34-3)25(31)30-24-5-4-18(13-29-24)26(32)33/h4-5,7-13,15-16H,6,14H2,1-3H3,(H,32,33)(H,29,30,31)/t15-,16-/m0/s1
InChIKeyHWRHBCYTRFVQSX-HOTGVXAUSA-N
XLogP4.73
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (CID 11477557) is 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is COC[C@H](C)Oc1cc(O[C@@H](C)Cc2cc(F)cc(F)c2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is HWRHBCYTRFVQSX-HOTGVXAUSA-N. The full InChI is InChI=1S/C26H26F2N2O6/c1-15(6-17-7-20(27)11-21(28)8-17)35-22-9-19(10-23(12-22)36-16(2)14-34-3)25(31)30-24-5-4-18(13-29-24)26(32)33/h4-5,7-13,15-16H,6,14H2,1-3H3,(H,32,33)(H,29,30,31)/t15-,16-/m0/s1.
What are the key properties of 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 500.50 g/mol, XLogP of 4.73, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(2S)-1-(3,5-difluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11477557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).