6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid

C16H14N2O3 — CID 43427178

IUPAC6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H14N2O3/c1-10-8-11-4-2-3-5-14(11)18(10)15(19)13-7-6-12(9-17-13)16(20)21/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyRNZFLKBSVHVHTR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.37
Rot. Bonds2

About 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid

6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 43427178) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID43427178
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H14N2O3/c1-10-8-11-4-2-3-5-14(11)18(10)15(19)13-7-6-12(9-17-13)16(20)21/h2-7,9-10H,8H2,1H3,(H,20,21)
InChIKeyRNZFLKBSVHVHTR-UHFFFAOYSA-N
XLogP2.37
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carbothioamide
CID 63724580
(5-anilino-2-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109197131
(2-methyl-2,3-dihydroindol-1-yl)-(5-piperidin-1-yl-2-pyridinyl)methanone
CID 109182883
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[5-(methylamino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 107374043
(2-methyl-2,3-dihydroindol-1-yl)-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278400
[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109162500
[5-(2,6-difluoroanilino)-2-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109200832
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
2,3-dihydroindol-1-yl-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]methanone
CID 109197791

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid (CID 43427178) is 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid is CC1Cc2ccccc2N1C(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is RNZFLKBSVHVHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-8-11-4-2-3-5-14(11)18(10)15(19)13-7-6-12(9-17-13)16(20)21/h2-7,9-10H,8H2,1H3,(H,20,21).
What are the key properties of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid?
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43427178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).