3,4-Pyridinedicarboximide

C7H4N2O2 — CID 72926

IUPACpyrrolo[3,4-c]pyridine-1,3-dione
SMILESC1=CN=CC2=C1C(=O)NC2=O
InChIInChI=1S/C7H4N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h1-3H,(H,9,10,11)
InChIKeySJSABZBUTDSWMJ-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.40
Rot. Bonds

About 3,4-Pyridinedicarboximide

3,4-Pyridinedicarboximide (PubChem CID 72926) has the molecular formula C7H4N2O2 and a molecular weight of 148.12 g/mol. Its IUPAC name is pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name3,4-Pyridinedicarboximide
PubChem CID72926
Molecular FormulaC7H4N2O2
Molecular Weight148.12 g/mol
Exact Mass148.03
IUPAC Namepyrrolo[3,4-c]pyridine-1,3-dione
SMILESC1=CN=CC2=C1C(=O)NC2=O
InChIInChI=1S/C7H4N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h1-3H,(H,9,10,11)
InChIKeySJSABZBUTDSWMJ-UHFFFAOYSA-N
XLogP-0.40
TPSA59.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity214

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nicotinamide
CID 936
Flonicamid
CID 9834513
N'-Methylnicotinamide
CID 64950
1-Methylnicotinamide
CID 457
Isonicotinamide
CID 15074
Nicotinohydroxamic acid
CID 71211
Nicotinamide N-oxide
CID 72661
N-Ethylnicotinamide
CID 78007
4-Trifluoromethylnicotinamide
CID 2782643
3-Carbamyl-1-methylpyridinium Chloride
CID 70495
5,8-Isoquinolinedione
CID 5766
5H-Pyrrolo(3,4-b)pyridine-5,7(6H)-dione
CID 72829

Frequently Asked Questions

What is the IUPAC name of 3,4-Pyridinedicarboximide?
The IUPAC name of 3,4-Pyridinedicarboximide (CID 72926) is pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 3,4-Pyridinedicarboximide?
The canonical SMILES for 3,4-Pyridinedicarboximide is C1=CN=CC2=C1C(=O)NC2=O.
What is the InChIKey of 3,4-Pyridinedicarboximide?
The InChIKey is SJSABZBUTDSWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O2/c10-6-4-1-2-8-3-5(4)7(11)9-6/h1-3H,(H,9,10,11).
What are the key properties of 3,4-Pyridinedicarboximide?
3,4-Pyridinedicarboximide has a molecular weight of 148.12 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-Pyridinedicarboximide is sourced from PubChem (CID 72926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).