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

C26H27FN2O6 — CID 11363673

IUPAC6-[[3-[(2S)-1-(4-fluorophenyl)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)Cc2ccc(F)cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C26H27FN2O6/c1-16(10-18-4-7-21(27)8-5-18)34-22-11-20(12-23(13-22)35-17(2)15-33-3)25(30)29-24-9-6-19(14-28-24)26(31)32/h4-9,11-14,16-17H,10,15H2,1-3H3,(H,31,32)(H,28,29,30)/t16-,17-/m0/s1
InChIKeyYCMZIWKNBMLCBK-IRXDYDNUSA-N
MW482.51 g/mol
LogP4.59
Rot. Bonds11

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

6-[[3-[(2S)-1-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 11363673) has the molecular formula C26H27FN2O6 and a molecular weight of 482.51 g/mol. Its IUPAC name is 6-[[3-[(2S)-1-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[(2S)-1-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID11363673
Molecular FormulaC26H27FN2O6
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name6-[[3-[(2S)-1-(4-fluorophenyl)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)Cc2ccc(F)cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C26H27FN2O6/c1-16(10-18-4-7-21(27)8-5-18)34-22-11-20(12-23(13-22)35-17(2)15-33-3)25(30)29-24-9-6-19(14-28-24)26(31)32/h4-9,11-14,16-17H,10,15H2,1-3H3,(H,31,32)(H,28,29,30)/t16-,17-/m0/s1
InChIKeyYCMZIWKNBMLCBK-IRXDYDNUSA-N
XLogP4.59
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(2S)-1-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-[(2S)-1-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (CID 11363673) is 6-[[3-[(2S)-1-(4-fluorophenyl)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-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-[(2S)-1-(4-fluorophenyl)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)Cc2ccc(F)cc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-[(2S)-1-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is YCMZIWKNBMLCBK-IRXDYDNUSA-N. The full InChI is InChI=1S/C26H27FN2O6/c1-16(10-18-4-7-21(27)8-5-18)34-22-11-20(12-23(13-22)35-17(2)15-33-3)25(30)29-24-9-6-19(14-28-24)26(31)32/h4-9,11-14,16-17H,10,15H2,1-3H3,(H,31,32)(H,28,29,30)/t16-,17-/m0/s1.
What are the key properties of 6-[[3-[(2S)-1-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-[(2S)-1-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 482.51 g/mol, XLogP of 4.59, 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-(4-fluorophenyl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11363673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).