2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid

C16H14N2O3 — CID 162638361

IUPAC2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc3c(c2)NC(=O)C3)nc(C)c1C(=O)O
InChIInChI=1S/C16H14N2O3/c1-8-5-12(17-9(2)15(8)16(20)21)10-3-4-11-7-14(19)18-13(11)6-10/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPJTBMAUGESTWFI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.56
Rot. Bonds2

About 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid

2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid (PubChem CID 162638361) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid
PubChem CID162638361
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc3c(c2)NC(=O)C3)nc(C)c1C(=O)O
InChIInChI=1S/C16H14N2O3/c1-8-5-12(17-9(2)15(8)16(20)21)10-3-4-11-7-14(19)18-13(11)6-10/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPJTBMAUGESTWFI-UHFFFAOYSA-N
XLogP2.56
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-phenyl-1,3-dihydroindol-2-one
CID 10536384
6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 175358460
6-(4-hydroxyphenyl)-1,3-dihydroindol-2-one
CID 68878128
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
6-methyl-2-oxo-1,3-dihydroindole-5-carboxylic acid
CID 59216572
1-(4-methylphenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea
CID 165032229
5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 175141162
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)acetamide
CID 122140644
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712841
6-(3,5-dimethoxyphenyl)-1,3-dihydroindol-2-one
CID 146673871
6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one
CID 155502531

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid (CID 162638361) is 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid is Cc1cc(-c2ccc3c(c2)NC(=O)C3)nc(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid?
The InChIKey is PJTBMAUGESTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-8-5-12(17-9(2)15(8)16(20)21)10-3-4-11-7-14(19)18-13(11)6-10/h3-6H,7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid?
2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 162638361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).