2,5-dihydropyridine-2,6-dicarboxamide

C7H9N3O2 — CID 54180380

IUPAC2,5-dihydropyridine-2,6-dicarboxamide
SMILESNC(=O)C1=NC(C(N)=O)C=CC1
InChIInChI=1S/C7H9N3O2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-2,4H,3H2,(H2,8,11)(H2,9,12)
InChIKeyJLDXIZJSBHLTPN-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.27
Rot. Bonds2

About 2,5-dihydropyridine-2,6-dicarboxamide

2,5-dihydropyridine-2,6-dicarboxamide (PubChem CID 54180380) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2,5-dihydropyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2,5-dihydropyridine-2,6-dicarboxamide
PubChem CID54180380
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2,5-dihydropyridine-2,6-dicarboxamide
SMILESNC(=O)C1=NC(C(N)=O)C=CC1
InChIInChI=1S/C7H9N3O2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-2,4H,3H2,(H2,8,11)(H2,9,12)
InChIKeyJLDXIZJSBHLTPN-UHFFFAOYSA-N
XLogP-1.27
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,5-dihydropyridine-2,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyridine-2,6-dicarboxamide?
The IUPAC name of 2,5-dihydropyridine-2,6-dicarboxamide (CID 54180380) is 2,5-dihydropyridine-2,6-dicarboxamide.
What is the SMILES notation for 2,5-dihydropyridine-2,6-dicarboxamide?
The canonical SMILES for 2,5-dihydropyridine-2,6-dicarboxamide is NC(=O)C1=NC(C(N)=O)C=CC1.
What is the InChIKey of 2,5-dihydropyridine-2,6-dicarboxamide?
The InChIKey is JLDXIZJSBHLTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-2,4H,3H2,(H2,8,11)(H2,9,12).
What are the key properties of 2,5-dihydropyridine-2,6-dicarboxamide?
2,5-dihydropyridine-2,6-dicarboxamide has a molecular weight of 167.17 g/mol, XLogP of -1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyridine-2,6-dicarboxamide is sourced from PubChem (CID 54180380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).