6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid

C26H28N2O6 — CID 11294219

IUPAC6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(OC[C@H](C)c2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C26H28N2O6/c1-17(19-7-5-4-6-8-19)15-33-22-11-21(12-23(13-22)34-18(2)16-32-3)25(29)28-24-10-9-20(14-27-24)26(30)31/h4-14,17-18H,15-16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
InChIKeyLLYXTCIGDZEJAK-ROUUACIJSA-N
MW464.52 g/mol
LogP4.63
Rot. Bonds11

About 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid

6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 11294219) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID11294219
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(OC[C@H](C)c2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C26H28N2O6/c1-17(19-7-5-4-6-8-19)15-33-22-11-21(12-23(13-22)34-18(2)16-32-3)25(29)28-24-10-9-20(14-27-24)26(30)31/h4-14,17-18H,15-16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1
InChIKeyLLYXTCIGDZEJAK-ROUUACIJSA-N
XLogP4.63
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.63
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-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid (CID 11294219) is 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid is COC[C@H](C)Oc1cc(OC[C@H](C)c2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is LLYXTCIGDZEJAK-ROUUACIJSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-17(19-7-5-4-6-8-19)15-33-22-11-21(12-23(13-22)34-18(2)16-32-3)25(29)28-24-10-9-20(14-27-24)26(30)31/h4-14,17-18H,15-16H2,1-3H3,(H,30,31)(H,27,28,29)/t17-,18-/m0/s1.
What are the key properties of 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 464.52 g/mol, XLogP of 4.63, 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-methoxypropan-2-yl]oxy-5-[(2R)-2-phenylpropoxy]benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11294219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).