5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid

C14H18N2O5 — CID 63850009

IUPAC5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid
SMILESCC(=O)C(NC(=O)COc1cncc(C(=O)O)c1)C(C)C
InChIInChI=1S/C14H18N2O5/c1-8(2)13(9(3)17)16-12(18)7-21-11-4-10(14(19)20)5-15-6-11/h4-6,8,13H,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyVAGJZPCUJSEQRP-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.89
Rot. Bonds7

About 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid

5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid (PubChem CID 63850009) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid
PubChem CID63850009
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid
SMILESCC(=O)C(NC(=O)COc1cncc(C(=O)O)c1)C(C)C
InChIInChI=1S/C14H18N2O5/c1-8(2)13(9(3)17)16-12(18)7-21-11-4-10(14(19)20)5-15-6-11/h4-6,8,13H,7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyVAGJZPCUJSEQRP-UHFFFAOYSA-N
XLogP0.89
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55256600
5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55258894
2-[4-(methylaminomethyl)phenoxy]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106486250
N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
CID 60708304
5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 63851160
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43214257
5-(4-methoxybutoxy)pyridine-3-carboxylic acid
CID 104646807
5-[2-(dimethylamino)ethoxy]pyridine-3-carboxylic acid
CID 4738593
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793667
N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 55578275
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid (CID 63850009) is 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid is CC(=O)C(NC(=O)COc1cncc(C(=O)O)c1)C(C)C.
What is the InChIKey of 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid?
The InChIKey is VAGJZPCUJSEQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-8(2)13(9(3)17)16-12(18)7-21-11-4-10(14(19)20)5-15-6-11/h4-6,8,13H,7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid?
5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63850009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).