2,5-dihydropyridine-5-carboxamide

C6H8N2O — CID 54255142

IUPAC2,5-dihydropyridine-5-carboxamide
SMILESNC(=O)C1C=CCN=C1
InChIInChI=1S/C6H8N2O/c7-6(9)5-2-1-3-8-4-5/h1-2,4-5H,3H2,(H2,7,9)
InChIKeyQZMRQSRDUAEFQN-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.27
Rot. Bonds1

About 2,5-dihydropyridine-5-carboxamide

2,5-dihydropyridine-5-carboxamide (PubChem CID 54255142) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,5-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name2,5-dihydropyridine-5-carboxamide
PubChem CID54255142
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2,5-dihydropyridine-5-carboxamide
SMILESNC(=O)C1C=CCN=C1
InChIInChI=1S/C6H8N2O/c7-6(9)5-2-1-3-8-4-5/h1-2,4-5H,3H2,(H2,7,9)
InChIKeyQZMRQSRDUAEFQN-UHFFFAOYSA-N
XLogP-0.27
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyridine-5-carboxamide?
The IUPAC name of 2,5-dihydropyridine-5-carboxamide (CID 54255142) is 2,5-dihydropyridine-5-carboxamide.
What is the SMILES notation for 2,5-dihydropyridine-5-carboxamide?
The canonical SMILES for 2,5-dihydropyridine-5-carboxamide is NC(=O)C1C=CCN=C1.
What is the InChIKey of 2,5-dihydropyridine-5-carboxamide?
The InChIKey is QZMRQSRDUAEFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-6(9)5-2-1-3-8-4-5/h1-2,4-5H,3H2,(H2,7,9).
What are the key properties of 2,5-dihydropyridine-5-carboxamide?
2,5-dihydropyridine-5-carboxamide has a molecular weight of 124.14 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyridine-5-carboxamide is sourced from PubChem (CID 54255142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).