6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid

C17H16N2O3 — CID 178053194

IUPAC6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1(C)C(=O)N(Cc2cccc(C(=O)O)n2)c2ccccc21
InChIInChI=1S/C17H16N2O3/c1-17(2)12-7-3-4-9-14(12)19(16(17)22)10-11-6-5-8-13(18-11)15(20)21/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyNLJAVZGKSDCXIX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.60
Rot. Bonds3

About 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid

6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 178053194) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID178053194
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1(C)C(=O)N(Cc2cccc(C(=O)O)n2)c2ccccc21
InChIInChI=1S/C17H16N2O3/c1-17(2)12-7-3-4-9-14(12)19(16(17)22)10-11-6-5-8-13(18-11)15(20)21/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyNLJAVZGKSDCXIX-UHFFFAOYSA-N
XLogP2.60
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid (CID 178053194) is 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid is CC1(C)C(=O)N(Cc2cccc(C(=O)O)n2)c2ccccc21.
What is the InChIKey of 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is NLJAVZGKSDCXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-17(2)12-7-3-4-9-14(12)19(16(17)22)10-11-6-5-8-13(18-11)15(20)21/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-dimethyl-2-oxoindol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 178053194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).