3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid

C21H20N2O5 — CID 168937715

IUPAC3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1ncc(-c2ccc3cc(O)ccc3c2)cc1O)C(=O)O
InChIInChI=1S/C21H20N2O5/c1-21(2,20(27)28)11-23-19(26)18-17(25)9-15(10-22-18)13-3-4-14-8-16(24)6-5-12(14)7-13/h3-10,24-25H,11H2,1-2H3,(H,23,26)(H,27,28)
InChIKeyGMKIHGDOVNUEDM-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.15
Rot. Bonds5

About 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid

3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 168937715) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID168937715
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)c1ncc(-c2ccc3cc(O)ccc3c2)cc1O)C(=O)O
InChIInChI=1S/C21H20N2O5/c1-21(2,20(27)28)11-23-19(26)18-17(25)9-15(10-22-18)13-3-4-14-8-16(24)6-5-12(14)7-13/h3-10,24-25H,11H2,1-2H3,(H,23,26)(H,27,28)
InChIKeyGMKIHGDOVNUEDM-UHFFFAOYSA-N
XLogP3.15
TPSA119.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937623
2-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]acetic acid
CID 71477196
(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid
CID 168937585
3-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 143601659
2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid
CID 71143239
2-[1-[(3-hydroxy-2,2-dimethylbut-3-enyl)amino]ethenyl]-5-isoquinolin-7-ylpyridin-3-ol
CID 168937620
methyl 2-[[3-hydroxy-5-(3-phenoxyphenyl)pyridine-2-carbonyl]amino]acetate
CID 163253667
2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid
CID 24891735
2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid
CID 59513097
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
5-(4-fluorophenyl)-3-hydroxy-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 135294730

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid (CID 168937715) is 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)c1ncc(-c2ccc3cc(O)ccc3c2)cc1O)C(=O)O.
What is the InChIKey of 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is GMKIHGDOVNUEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-21(2,20(27)28)11-23-19(26)18-17(25)9-15(10-22-18)13-3-4-14-8-16(24)6-5-12(14)7-13/h3-10,24-25H,11H2,1-2H3,(H,23,26)(H,27,28).
What are the key properties of 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 380.40 g/mol, XLogP of 3.15, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 168937715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).