5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one

C21H27N3O — CID 19897743

IUPAC5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one
SMILESCc1cc2c(cc1C)C(=O)N(CCCN(C)CCc1ccccn1)C2
InChIInChI=1S/C21H27N3O/c1-16-13-18-15-24(21(25)20(18)14-17(16)2)11-6-10-23(3)12-8-19-7-4-5-9-22-19/h4-5,7,9,13-14H,6,8,10-12,15H2,1-3H3
InChIKeyABQYMMHJGVEJIT-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.22
Rot. Bonds7

About 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one

5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one (PubChem CID 19897743) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one
PubChem CID19897743
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one
SMILESCc1cc2c(cc1C)C(=O)N(CCCN(C)CCc1ccccn1)C2
InChIInChI=1S/C21H27N3O/c1-16-13-18-15-24(21(25)20(18)14-17(16)2)11-6-10-23(3)12-8-19-7-4-5-9-22-19/h4-5,7,9,13-14H,6,8,10-12,15H2,1-3H3
InChIKeyABQYMMHJGVEJIT-UHFFFAOYSA-N
XLogP3.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-3-methyl-5-pyridin-2-ylpentyl)-5,6-dimethyl-3H-isoindol-1-one
CID 57172735
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
6,7-dimethyl-2-[3-[methyl-[3-(1-oxidopyridin-1-ium-3-yl)propyl]amino]propyl]-3,4-dihydroisoquinolin-1-one
CID 19897675
1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one
CID 23442461
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001
2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494657

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one?
The IUPAC name of 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one (CID 19897743) is 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one.
What is the SMILES notation for 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one?
The canonical SMILES for 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one is Cc1cc2c(cc1C)C(=O)N(CCCN(C)CCc1ccccn1)C2.
What is the InChIKey of 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one?
The InChIKey is ABQYMMHJGVEJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-13-18-15-24(21(25)20(18)14-17(16)2)11-6-10-23(3)12-8-19-7-4-5-9-22-19/h4-5,7,9,13-14H,6,8,10-12,15H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one?
5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one has a molecular weight of 337.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]-3H-isoindol-1-one is sourced from PubChem (CID 19897743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).