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

C24H25ClN2O7 — CID 11340776

IUPAC6-[[3-[(2S)-1-(5-chlorofuran-2-yl)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(Cl)o2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C24H25ClN2O7/c1-14(8-18-5-6-21(25)34-18)32-19-9-17(10-20(11-19)33-15(2)13-31-3)23(28)27-22-7-4-16(12-26-22)24(29)30/h4-7,9-12,14-15H,8,13H2,1-3H3,(H,29,30)(H,26,27,28)/t14-,15-/m0/s1
InChIKeyFACGWLUZFFYALO-GJZGRUSLSA-N
MW488.92 g/mol
LogP4.70
Rot. Bonds11

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

6-[[3-[(2S)-1-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 11340776) has the molecular formula C24H25ClN2O7 and a molecular weight of 488.92 g/mol. Its IUPAC name is 6-[[3-[(2S)-1-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[(2S)-1-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
PubChem CID11340776
Molecular FormulaC24H25ClN2O7
Molecular Weight488.92 g/mol
Exact Mass488.14
IUPAC Name6-[[3-[(2S)-1-(5-chlorofuran-2-yl)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(Cl)o2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
InChIInChI=1S/C24H25ClN2O7/c1-14(8-18-5-6-21(25)34-18)32-19-9-17(10-20(11-19)33-15(2)13-31-3)23(28)27-22-7-4-16(12-26-22)24(29)30/h4-7,9-12,14-15H,8,13H2,1-3H3,(H,29,30)(H,26,27,28)/t14-,15-/m0/s1
InChIKeyFACGWLUZFFYALO-GJZGRUSLSA-N
XLogP4.70
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.92
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[3-[(2S)-1-(5-chlorofuran-2-yl)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-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-[(2S)-1-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (CID 11340776) is 6-[[3-[(2S)-1-(5-chlorofuran-2-yl)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-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-[(2S)-1-(5-chlorofuran-2-yl)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(Cl)o2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.
What is the InChIKey of 6-[[3-[(2S)-1-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is FACGWLUZFFYALO-GJZGRUSLSA-N. The full InChI is InChI=1S/C24H25ClN2O7/c1-14(8-18-5-6-21(25)34-18)32-19-9-17(10-20(11-19)33-15(2)13-31-3)23(28)27-22-7-4-16(12-26-22)24(29)30/h4-7,9-12,14-15H,8,13H2,1-3H3,(H,29,30)(H,26,27,28)/t14-,15-/m0/s1.
What are the key properties of 6-[[3-[(2S)-1-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-[(2S)-1-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 488.92 g/mol, XLogP of 4.70, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(2S)-1-(5-chlorofuran-2-yl)propan-2-yl]oxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11340776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).