methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate

C18H20N2O6 — CID 58852339

IUPACmethyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
SMILESCOC[C@H](C)Oc1cc(O)cc(C(=O)Nc2ccc(C(=O)OC)cn2)c1
InChIInChI=1S/C18H20N2O6/c1-11(10-24-2)26-15-7-13(6-14(21)8-15)17(22)20-16-5-4-12(9-19-16)18(23)25-3/h4-9,11,21H,10H2,1-3H3,(H,19,20,22)/t11-/m0/s1
InChIKeyLOWSCKORGJWXKN-NSHDSACASA-N
MW360.37 g/mol
LogP2.24
Rot. Bonds7

About methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate

methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate (PubChem CID 58852339) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
PubChem CID58852339
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Namemethyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
SMILESCOC[C@H](C)Oc1cc(O)cc(C(=O)Nc2ccc(C(=O)OC)cn2)c1
InChIInChI=1S/C18H20N2O6/c1-11(10-24-2)26-15-7-13(6-14(21)8-15)17(22)20-16-5-4-12(9-19-16)18(23)25-3/h4-9,11,21H,10H2,1-3H3,(H,19,20,22)/t11-/m0/s1
InChIKeyLOWSCKORGJWXKN-NSHDSACASA-N
XLogP2.24
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 59263320
methyl 6-[[3-hydroxy-5-[(2S)-2-methoxypropoxy]benzoyl]amino]pyridine-3-carboxylate
CID 67485037
3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylic acid
CID 66921093
6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
CID 11317268
methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 143828089
6-[[3-(3-chlorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
CID 54585589
6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid
CID 73085606
tert-butyl 3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylate
CID 59127185
methyl 6-[[2-[(1R)-1-phenylethoxy]-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 67765270
N-(5-cyano-2-pyridinyl)-3-[2-[3-(2-methoxyethoxy)phenyl]ethynyl]-5-[(2S)-1-methoxypropan-2-yl]oxybenzamide
CID 142720088
potassium;hydride;3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 173004850
potassium 3-hydroxy-5-(1-methoxypropan-2-yloxy)benzoate
CID 77158836

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate (CID 58852339) is methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate is COC[C@H](C)Oc1cc(O)cc(C(=O)Nc2ccc(C(=O)OC)cn2)c1.
What is the InChIKey of methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate?
The InChIKey is LOWSCKORGJWXKN-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N2O6/c1-11(10-24-2)26-15-7-13(6-14(21)8-15)17(22)20-16-5-4-12(9-19-16)18(23)25-3/h4-9,11,21H,10H2,1-3H3,(H,19,20,22)/t11-/m0/s1.
What are the key properties of methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate?
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 58852339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).