4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide

C22H21N3O2 — CID 113022083

IUPAC4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3c4ccccc4CC3C)nc2)cc1
InChIInChI=1S/C22H21N3O2/c1-15-13-17-5-3-4-6-20(17)25(15)21-12-9-18(14-23-21)24-22(26)16-7-10-19(27-2)11-8-16/h3-12,14-15H,13H2,1-2H3,(H,24,26)
InChIKeyGUMJVOCMJXSZOO-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.43
Rot. Bonds4

About 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide

4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide (PubChem CID 113022083) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
PubChem CID113022083
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3c4ccccc4CC3C)nc2)cc1
InChIInChI=1S/C22H21N3O2/c1-15-13-17-5-3-4-6-20(17)25(15)21-12-9-18(14-23-21)24-22(26)16-7-10-19(27-2)11-8-16/h3-12,14-15H,13H2,1-2H3,(H,24,26)
InChIKeyGUMJVOCMJXSZOO-UHFFFAOYSA-N
XLogP4.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide (CID 113022083) is 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide is COc1ccc(C(=O)Nc2ccc(N3c4ccccc4CC3C)nc2)cc1.
What is the InChIKey of 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide?
The InChIKey is GUMJVOCMJXSZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-13-17-5-3-4-6-20(17)25(15)21-12-9-18(14-23-21)24-22(26)16-7-10-19(27-2)11-8-16/h3-12,14-15H,13H2,1-2H3,(H,24,26).
What are the key properties of 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide?
4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide has a molecular weight of 359.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-(2-methyl-2,3-dihydroindol-1-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 113022083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).