1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid

C16H16N2O2 — CID 115982221

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cccnc1CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-11-5-4-8-17-14(11)10-18-9-13(16(19)20)12-6-2-3-7-15(12)18/h2-8,13H,9-10H2,1H3,(H,19,20)
InChIKeyMAYIDLNDXROUEM-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.58
Rot. Bonds3

About 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid

1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 115982221) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID115982221
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cccnc1CN1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C16H16N2O2/c1-11-5-4-8-17-14(11)10-18-9-13(16(19)20)12-6-2-3-7-15(12)18/h2-8,13H,9-10H2,1H3,(H,19,20)
InChIKeyMAYIDLNDXROUEM-UHFFFAOYSA-N
XLogP2.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565498
1-[(4-fluoro-2-methylphenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 114346535
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565615
1-[(4-iodophenyl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565810
1-(2-amino-2-oxoethyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565297
1-[2-(dimethylamino)ethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565757
1-[2-(methylamino)-2-oxoethyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565760
1-[(E)-3-phenylprop-2-enyl]-2,3-dihydroindole-3-carboxylic acid
CID 80563415
1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565332
1-[(4-bromothiophen-2-yl)methyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565505
S-[[1-[(3-methyl-2-pyridinyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667374
1-(3-methylsulfonylpropyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565784

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid (CID 115982221) is 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid is Cc1cccnc1CN1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is MAYIDLNDXROUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-5-4-8-17-14(11)10-18-9-13(16(19)20)12-6-2-3-7-15(12)18/h2-8,13H,9-10H2,1H3,(H,19,20).
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid?
1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 115982221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).