3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid

C21H21N3O4 — CID 168937623

IUPAC3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCc1cccc2cc(-c3cnc(C(=O)NCC(C)(C)C(=O)O)c(O)c3)cnc12
InChIInChI=1S/C21H21N3O4/c1-12-5-4-6-13-7-14(9-22-17(12)13)15-8-16(25)18(23-10-15)19(26)24-11-21(2,3)20(27)28/h4-10,25H,11H2,1-3H3,(H,24,26)(H,27,28)
InChIKeyHBGPFCBQQVVQNJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.15
Rot. Bonds5

About 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid

3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 168937623) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
PubChem CID168937623
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
SMILESCc1cccc2cc(-c3cnc(C(=O)NCC(C)(C)C(=O)O)c(O)c3)cnc12
InChIInChI=1S/C21H21N3O4/c1-12-5-4-6-13-7-14(9-22-17(12)13)15-8-16(25)18(23-10-15)19(26)24-11-21(2,3)20(27)28/h4-10,25H,11H2,1-3H3,(H,24,26)(H,27,28)
InChIKeyHBGPFCBQQVVQNJ-UHFFFAOYSA-N
XLogP3.15
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid with MolForge

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Related Compounds

3-[[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 168937715
2-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]acetic acid
CID 71477196
2-[[5-(4-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]-2-methylpropanoic acid
CID 71143239
3-[[2-(2,6-dimethylphenyl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 120687906
(2R)-2-hydroxy-3-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]propanoic acid
CID 168937585
2,2-dimethyl-3-[(2-methyl-6-nitrobenzoyl)amino]propanoic acid
CID 115427328
3-hydroxy-N-(2-hydroxy-2-methylpropyl)-5-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 143601659
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
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
3-(4-methylphenyl)quinolin-8-ol
CID 134530659
3-[(3-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 107517223

Frequently Asked Questions

What is the IUPAC name of 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid (CID 168937623) is 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid is Cc1cccc2cc(-c3cnc(C(=O)NCC(C)(C)C(=O)O)c(O)c3)cnc12.
What is the InChIKey of 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is HBGPFCBQQVVQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-12-5-4-6-13-7-14(9-22-17(12)13)15-8-16(25)18(23-10-15)19(26)24-11-21(2,3)20(27)28/h4-10,25H,11H2,1-3H3,(H,24,26)(H,27,28).
What are the key properties of 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid?
3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 379.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-hydroxy-5-(8-methylquinolin-3-yl)pyridine-2-carbonyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 168937623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).