hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate

C15H22N2O5 — CID 146481386

IUPAChexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
SMILESCCCCC(C)OC(=O)CNC(=O)c1nccc(OC)c1O
InChIInChI=1S/C15H22N2O5/c1-4-5-6-10(2)22-12(18)9-17-15(20)13-14(19)11(21-3)7-8-16-13/h7-8,10,19H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyOQVPIKQEEAQHBJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.65
Rot. Bonds8

About hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate

hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate (PubChem CID 146481386) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namehexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
PubChem CID146481386
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Namehexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
SMILESCCCCC(C)OC(=O)CNC(=O)c1nccc(OC)c1O
InChIInChI=1S/C15H22N2O5/c1-4-5-6-10(2)22-12(18)9-17-15(20)13-14(19)11(21-3)7-8-16-13/h7-8,10,19H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyOQVPIKQEEAQHBJ-UHFFFAOYSA-N
XLogP1.65
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenoxyhexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 145115251
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900
1-(2-chloro-4-fluorophenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 145115749
4-phenoxyhexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate;toluene
CID 145115321
[(4R)-4-benzylhexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate;1-fluoro-4-methylbenzene
CID 145115262
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
1-(4-fluoro-2-phenoxyphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 155148765
1-(4-methylphenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298969
1-fluoro-4-methylbenzene;[(4R)-4-[[4-(trifluoromethyl)phenyl]methyl]hexan-2-yl] 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate
CID 145115244
1-(4-fluorophenyl)propan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbothioyl)amino]acetate
CID 142298942
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
[(2S)-1-(2-methylpropoxy)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121466267

Frequently Asked Questions

What is the IUPAC name of hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate?
The IUPAC name of hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate (CID 146481386) is hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate?
The canonical SMILES for hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate is CCCCC(C)OC(=O)CNC(=O)c1nccc(OC)c1O.
What is the InChIKey of hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate?
The InChIKey is OQVPIKQEEAQHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-4-5-6-10(2)22-12(18)9-17-15(20)13-14(19)11(21-3)7-8-16-13/h7-8,10,19H,4-6,9H2,1-3H3,(H,17,20).
What are the key properties of hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate?
hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate has a molecular weight of 310.35 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yl 2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 146481386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).