[2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate

C23H38N2O7Si — CID 23566632

IUPAC[2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCc1ccnc(C(=O)NC(COC(=O)CC(C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C)c1O
InChIInChI=1S/C23H38N2O7Si/c1-14(2)31-22(29)17(25-21(28)19-20(27)15(3)10-11-24-19)13-30-18(26)12-16(4)32-33(8,9)23(5,6)7/h10-11,14,16-17,27H,12-13H2,1-9H3,(H,25,28)
InChIKeyKWNOAANSABEBGF-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.49
Rot. Bonds10

About [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate

[2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate (PubChem CID 23566632) has the molecular formula C23H38N2O7Si and a molecular weight of 482.65 g/mol. Its IUPAC name is [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate.

Molecular Properties

Compound Name[2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate
PubChem CID23566632
Molecular FormulaC23H38N2O7Si
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Name[2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCc1ccnc(C(=O)NC(COC(=O)CC(C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C)c1O
InChIInChI=1S/C23H38N2O7Si/c1-14(2)31-22(29)17(25-21(28)19-20(27)15(3)10-11-24-19)13-30-18(26)12-16(4)32-33(8,9)23(5,6)7/h10-11,14,16-17,27H,12-13H2,1-9H3,(H,25,28)
InChIKeyKWNOAANSABEBGF-UHFFFAOYSA-N
XLogP3.49
TPSA124.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxybutaneperoxoic acid
CID 76827468
[2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]-3-methoxy-3-oxopropyl] 3-(2-methylpropanoyloxy)butanoate
CID 18681702
N-(4-chlorobut-2-ynyl)-3-hydroxy-4-methylpyridine-2-carboxamide
CID 23566888
[(2S)-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121466267
4-propoxybutan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-3-methoxypropanoate;toluene
CID 145115422
[(2S)-4-methylpent-4-en-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 145115451
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
3-hydroxy-4-methyl-N-(3-phenylprop-2-ynyl)pyridine-2-carboxamide
CID 23566710
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]butanoate
CID 121463633
3-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-hydroxy-N-(5-methyl-2-pyridinyl)propanamide
CID 66813170
butan-2-yl (2S)-3-(3,5-dichloro-2-pyridinyl)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 166682339

Frequently Asked Questions

What is the IUPAC name of [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The IUPAC name of [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate (CID 23566632) is [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate.
What is the SMILES notation for [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The canonical SMILES for [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate is Cc1ccnc(C(=O)NC(COC(=O)CC(C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)C)c1O.
What is the InChIKey of [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The InChIKey is KWNOAANSABEBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O7Si/c1-14(2)31-22(29)17(25-21(28)19-20(27)15(3)10-11-24-19)13-30-18(26)12-16(4)32-33(8,9)23(5,6)7/h10-11,14,16-17,27H,12-13H2,1-9H3,(H,25,28).
What are the key properties of [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate?
[2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate has a molecular weight of 482.65 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-hydroxy-4-methylpyridine-2-carbonyl)amino]-3-oxo-3-propan-2-yloxypropyl] 3-[tert-butyl(dimethyl)silyl]oxybutanoate is sourced from PubChem (CID 23566632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).