4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione

C8H7N3O2 — CID 600802

IUPAC4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(N)n1)C(=O)NC2=O
InChIInChI=1S/C8H7N3O2/c1-3-2-4-5(6(9)10-3)8(13)11-7(4)12/h2H,1H3,(H2,9,10)(H,11,12,13)
InChIKeyKCQBNAMGQKHTDA-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.14
Rot. Bonds

About 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione

4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 600802) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID600802
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(N)n1)C(=O)NC2=O
InChIInChI=1S/C8H7N3O2/c1-3-2-4-5(6(9)10-3)8(13)11-7(4)12/h2H,1H3,(H2,9,10)(H,11,12,13)
InChIKeyKCQBNAMGQKHTDA-UHFFFAOYSA-N
XLogP-0.14
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dimethyl-1,2-dihydro-3h-pyrazolo[3,4-b]pyridin-3-one
CID 230045
5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
1,4,6-trimethyl-1H,2H,3H-pyrazolo(3,4-b)pyridin-3-one
CID 2728743
2-Amino-4,6-dimethylpyridine-3-carboxamide
CID 252216
1-hexan-2-yl-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 3436932
4-Amino-7,8-dihydrocyclopenta[b]pyrrolo[3,4-d]pyridine-1,3(2H,6H)-dione
CID 608994
4,6-dimethyl-1-(pentan-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 757651
4,6-Dimethyl-1-(pentan-2-yl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 2947675
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
1-Isopropyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 652826
4,6-Dimethyl-2-phenyl-2H-pyrazolo[3,4-b]pyridin-3-ol
CID 712750
1-sec-Butyl-4,6-dimethyl-1H-pyrazolo[3,4-b]pyridin-3-ol
CID 647433

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione (CID 600802) is 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione is Cc1cc2c(c(N)n1)C(=O)NC2=O.
What is the InChIKey of 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is KCQBNAMGQKHTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-3-2-4-5(6(9)10-3)8(13)11-7(4)12/h2H,1H3,(H2,9,10)(H,11,12,13).
What are the key properties of 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione?
4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 177.16 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methylpyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 600802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).