6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one

C15H14N2O3 — CID 659311

IUPAC6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccccn1)C2
InChIInChI=1S/C15H14N2O3/c1-19-11-7-6-10-9-17(12-5-3-4-8-16-12)15(18)13(10)14(11)20-2/h3-8H,9H2,1-2H3
InChIKeyDHWRTJZCKSUJII-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.26
Rot. Bonds3

About 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one

6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one (PubChem CID 659311) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one
PubChem CID659311
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one
SMILESCOc1ccc2c(c1OC)C(=O)N(c1ccccn1)C2
InChIInChI=1S/C15H14N2O3/c1-19-11-7-6-10-9-17(12-5-3-4-8-16-12)15(18)13(10)14(11)20-2/h3-8H,9H2,1-2H3
InChIKeyDHWRTJZCKSUJII-UHFFFAOYSA-N
XLogP2.26
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
N-(4-methylpyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 1116221
N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 3413292
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 24761480
1-(1,3-Benzodioxol-5-ylcarbonyl)-4-(2-pyridinyl)piperazine
CID 2916912
methyl N-(1,3-benzodioxol-5-ylcarbonyl)-N-2-pyridinyl-beta-alaninate
CID 2947688
N-(3-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 16022256
7,8-dimethoxy-2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 155561496
N-(5-Methylpyridin-2-YL)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-YL)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 24761565
(4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(2-pyridyl)pyrrolidin-2-one
CID 15958395
2-ethyl-6,7-dimethoxy-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]isoquinolin-1(2H)-one
CID 3241140
3-(4-methoxyphenyl)-N-(5-methylpyridin-2-yl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 24761481

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one?
The IUPAC name of 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one (CID 659311) is 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one?
The canonical SMILES for 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one is COc1ccc2c(c1OC)C(=O)N(c1ccccn1)C2.
What is the InChIKey of 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one?
The InChIKey is DHWRTJZCKSUJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-19-11-7-6-10-9-17(12-5-3-4-8-16-12)15(18)13(10)14(11)20-2/h3-8H,9H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one?
6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one has a molecular weight of 270.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-pyridin-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 659311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).