2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one

C16H16N2O3 — CID 57206164

IUPAC2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(N2C(=O)c3cnccc3C2C)cc1OC
InChIInChI=1S/C16H16N2O3/c1-10-12-6-7-17-9-13(12)16(19)18(10)11-4-5-14(20-2)15(8-11)21-3/h4-10H,1-3H3
InChIKeyGWRPZQNTUWLYNK-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.82
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one

2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 57206164) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID57206164
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCOc1ccc(N2C(=O)c3cnccc3C2C)cc1OC
InChIInChI=1S/C16H16N2O3/c1-10-12-6-7-17-9-13(12)16(19)18(10)11-4-5-14(20-2)15(8-11)21-3/h4-10H,1-3H3
InChIKeyGWRPZQNTUWLYNK-UHFFFAOYSA-N
XLogP2.82
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)nicotinamide
CID 668900
6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 155529322
N-(1,3-benzodioxol-5-yl)-2-ethoxypyridine-3-carboxamide
CID 2471206
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
CID 665179
N-(1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 756817
2-(3-methoxyphenyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
CID 1263476
7-hydroxy-6-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 20866889
N-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502162
N-(1,3-dioxaindan-5-yl)-6-chloropyridine-3-carboxamide
CID 2081675
N-(1,3-benzodioxol-5-yl)-1-oxidopyridin-1-ium-3-carboxamide
CID 2434567
N-1,3-benzodioxol-5-yl-3-oxo-2-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3239696

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 57206164) is 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one is COc1ccc(N2C(=O)c3cnccc3C2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is GWRPZQNTUWLYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-12-6-7-17-9-13(12)16(19)18(10)11-4-5-14(20-2)15(8-11)21-3/h4-10H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one?
2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 284.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 57206164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).