3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one

C21H20N2O — CID 158297042

IUPAC3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
SMILESCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1
InChIInChI=1S/C21H20N2O/c1-14-11-18-20(19(24)12-14)17(13-15-5-3-2-4-6-15)21(23-18)16-7-9-22-10-8-16/h2-10,14,23H,11-13H2,1H3
InChIKeyGMARBTITJNPPLU-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.43
Rot. Bonds3

About 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one

3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 158297042) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
PubChem CID158297042
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
SMILESCC1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1
InChIInChI=1S/C21H20N2O/c1-14-11-18-20(19(24)12-14)17(13-15-5-3-2-4-6-15)21(23-18)16-7-9-22-10-8-16/h2-10,14,23H,11-13H2,1H3
InChIKeyGMARBTITJNPPLU-UHFFFAOYSA-N
XLogP4.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one (CID 158297042) is 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one is CC1CC(=O)c2c([nH]c(-c3ccncc3)c2Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is GMARBTITJNPPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-14-11-18-20(19(24)12-14)17(13-15-5-3-2-4-6-15)21(23-18)16-7-9-22-10-8-16/h2-10,14,23H,11-13H2,1H3.
What are the key properties of 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 316.40 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-methyl-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 158297042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).