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

C17H19N2O6P — CID 59263320

IUPACmethyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(O)cc(O[C@@H](C)COP)c2)nc1
InChIInChI=1S/C17H19N2O6P/c1-10(9-24-26)25-14-6-12(5-13(20)7-14)16(21)19-15-4-3-11(8-18-15)17(22)23-2/h3-8,10,20H,9,26H2,1-2H3,(H,18,19,21)/t10-/m0/s1
InChIKeyJBYPUTMNSSBXGO-JTQLQIEISA-N
MW378.32 g/mol
LogP2.40
Rot. Bonds7

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

methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate (PubChem CID 59263320) has the molecular formula C17H19N2O6P and a molecular weight of 378.32 g/mol. Its IUPAC name is methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
PubChem CID59263320
Molecular FormulaC17H19N2O6P
Molecular Weight378.32 g/mol
Exact Mass378.10
IUPAC Namemethyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(O)cc(O[C@@H](C)COP)c2)nc1
InChIInChI=1S/C17H19N2O6P/c1-10(9-24-26)25-14-6-12(5-13(20)7-14)16(21)19-15-4-3-11(8-18-15)17(22)23-2/h3-8,10,20H,9,26H2,1-2H3,(H,18,19,21)/t10-/m0/s1
InChIKeyJBYPUTMNSSBXGO-JTQLQIEISA-N
XLogP2.40
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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

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Related Compounds

methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
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
methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 143828089
6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
CID 11317268
6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid
CID 73085606
6-[[3-(3-chlorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
CID 54585589
methyl 6-[[2-[(1R)-1-phenylethoxy]-6-propan-2-yloxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 67765270
tert-butyl 3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylate
CID 59127185
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
3-[(2S)-1-(difluoromethoxy)propan-2-yl]oxy-5-hydroxy-N-(1-methylpyrazol-3-yl)benzamide
CID 59127122
6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
CID 142197580

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate (CID 59263320) is methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)c2cc(O)cc(O[C@@H](C)COP)c2)nc1.
What is the InChIKey of methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate?
The InChIKey is JBYPUTMNSSBXGO-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N2O6P/c1-10(9-24-26)25-14-6-12(5-13(20)7-14)16(21)19-15-4-3-11(8-18-15)17(22)23-2/h3-8,10,20H,9,26H2,1-2H3,(H,18,19,21)/t10-/m0/s1.
What are the key properties of methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate?
methyl 6-[[3-hydroxy-5-[(2S)-1-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate has a molecular weight of 378.32 g/mol, XLogP of 2.40, 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-phosphanyloxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 59263320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).