2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione

C14H10N2O3 — CID 1263476

IUPAC2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCOc1cccc(N2C(=O)c3ccncc3C2=O)c1
InChIInChI=1S/C14H10N2O3/c1-19-10-4-2-3-9(7-10)16-13(17)11-5-6-15-8-12(11)14(16)18/h2-8H,1H3
InChIKeyINVLJNCSJQLYGT-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.89
Rot. Bonds2

About 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 1263476) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID1263476
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCOc1cccc(N2C(=O)c3ccncc3C2=O)c1
InChIInChI=1S/C14H10N2O3/c1-19-10-4-2-3-9(7-10)16-13(17)11-5-6-15-8-12(11)14(16)18/h2-8H,1H3
InChIKeyINVLJNCSJQLYGT-UHFFFAOYSA-N
XLogP1.89
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 699158
N-(3-methoxyphenyl)nicotinamide
CID 668900
6-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 682662
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
6-(2,5-dimethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 888493
N-(3-isopropoxyphenyl)-4-(trifluoromethyl)nicotinamide
CID 2726832
N-(3-ethoxyphenyl)-4-(trifluoromethyl)nicotinamide
CID 2726853
Methyl 3-[(4-methoxyphenyl)carbamoyl]pyridine-4-carboxylate
CID 2764383
6-(4-ethoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 3237849
N-(2,5-diethoxyphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 3242130
7-hydroxy-6-(3-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 20866889

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 1263476) is 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione is COc1cccc(N2C(=O)c3ccncc3C2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is INVLJNCSJQLYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-19-10-4-2-3-9(7-10)16-13(17)11-5-6-15-8-12(11)14(16)18/h2-8H,1H3.
What are the key properties of 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 254.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 1263476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).