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

C23H22N2O6 — CID 11235541

IUPAC6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C23H22N2O6/c1-15(14-29-2)30-19-10-17(11-20(12-19)31-18-6-4-3-5-7-18)22(26)25-21-9-8-16(13-24-21)23(27)28/h3-13,15H,14H2,1-2H3,(H,27,28)(H,24,25,26)/t15-/m0/s1
InChIKeyOAHXKGMOXATJDV-HNNXBMFYSA-N
MW422.44 g/mol
LogP4.24
Rot. Bonds9

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

6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 11235541) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID11235541
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid
SMILESCOC[C@H](C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C23H22N2O6/c1-15(14-29-2)30-19-10-17(11-20(12-19)31-18-6-4-3-5-7-18)22(26)25-21-9-8-16(13-24-21)23(27)28/h3-13,15H,14H2,1-2H3,(H,27,28)(H,24,25,26)/t15-/m0/s1
InChIKeyOAHXKGMOXATJDV-HNNXBMFYSA-N
XLogP4.24
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]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-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid (CID 11235541) is 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid is COC[C@H](C)Oc1cc(Oc2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is OAHXKGMOXATJDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-15(14-29-2)30-19-10-17(11-20(12-19)31-18-6-4-3-5-7-18)22(26)25-21-9-8-16(13-24-21)23(27)28/h3-13,15H,14H2,1-2H3,(H,27,28)(H,24,25,26)/t15-/m0/s1.
What are the key properties of 6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 422.44 g/mol, XLogP of 4.24, 9 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-phenoxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11235541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).