ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate

C24H32N2O5 — CID 123268993

IUPACethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate
SMILESCCOC(=O)C(CCCC(CC)Cc1ccccc1)NC(=O)c1nccc(OC)c1O
InChIInChI=1S/C24H32N2O5/c1-4-17(16-18-10-7-6-8-11-18)12-9-13-19(24(29)31-5-2)26-23(28)21-22(27)20(30-3)14-15-25-21/h6-8,10-11,14-15,17,19,27H,4-5,9,12-13,16H2,1-3H3,(H,26,28)
InChIKeyZMWOGCQXTKJAKL-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.90
Rot. Bonds12

About ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate

ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate (PubChem CID 123268993) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate.

Molecular Properties

Compound Nameethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate
PubChem CID123268993
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Nameethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate
SMILESCCOC(=O)C(CCCC(CC)Cc1ccccc1)NC(=O)c1nccc(OC)c1O
InChIInChI=1S/C24H32N2O5/c1-4-17(16-18-10-7-6-8-11-18)12-9-13-19(24(29)31-5-2)26-23(28)21-22(27)20(30-3)14-15-25-21/h6-8,10-11,14-15,17,19,27H,4-5,9,12-13,16H2,1-3H3,(H,26,28)
InChIKeyZMWOGCQXTKJAKL-UHFFFAOYSA-N
XLogP3.90
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 146589882
4-propoxybutan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-3-methoxypropanoate;toluene
CID 145115422
(3-benzyl-4-phenoxybutan-2-yl) (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121455359
2-methylpropyl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-3-(2-methyl-3-phenylpropanoyl)oxybutanoate
CID 18682191
[(4R)-4-benzylhexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate;1-fluoro-4-methylbenzene
CID 145115262
[(2S,3R,4R)-4-benzyl-3-(2-methylpropoxy)hexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121465833
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
3-hydroxy-4-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 21088902
[(2S,3R)-3-phenoxy-4-phenylbutan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121466517
benzyl (2R,3R)-2-benzyl-4-[(2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-3-phenylmethoxypropanoyl]oxy-3-(2-methylpropanoyloxy)pentanoate
CID 59653449
butane;3-hydroxy-4-methoxypyridine-2-carboxamide;1-phenylpropan-2-yl propanoate
CID 145115424
[(2S,3R)-4-(4-chlorophenyl)-3-phenylbutan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462956

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate?
The IUPAC name of ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate (CID 123268993) is ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate.
What is the SMILES notation for ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate?
The canonical SMILES for ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate is CCOC(=O)C(CCCC(CC)Cc1ccccc1)NC(=O)c1nccc(OC)c1O.
What is the InChIKey of ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate?
The InChIKey is ZMWOGCQXTKJAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-4-17(16-18-10-7-6-8-11-18)12-9-13-19(24(29)31-5-2)26-23(28)21-22(27)20(30-3)14-15-25-21/h6-8,10-11,14-15,17,19,27H,4-5,9,12-13,16H2,1-3H3,(H,26,28).
What are the key properties of ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate?
ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate has a molecular weight of 428.53 g/mol, XLogP of 3.90, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]octanoate is sourced from PubChem (CID 123268993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).