2,3-dihydropyridine-4-carboxamide

C6H8N2O — CID 91606672

IUPAC2,3-dihydropyridine-4-carboxamide
SMILESNC(=O)C1=CC=NCC1
InChIInChI=1S/C6H8N2O/c7-6(9)5-1-3-8-4-2-5/h1,3H,2,4H2,(H2,7,9)
InChIKeyFRJBXVUNPZLVTQ-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.13
Rot. Bonds1

About 2,3-dihydropyridine-4-carboxamide

2,3-dihydropyridine-4-carboxamide (PubChem CID 91606672) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,3-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-dihydropyridine-4-carboxamide
PubChem CID91606672
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2,3-dihydropyridine-4-carboxamide
SMILESNC(=O)C1=CC=NCC1
InChIInChI=1S/C6H8N2O/c7-6(9)5-1-3-8-4-2-5/h1,3H,2,4H2,(H2,7,9)
InChIKeyFRJBXVUNPZLVTQ-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-4-carboxamide?
The IUPAC name of 2,3-dihydropyridine-4-carboxamide (CID 91606672) is 2,3-dihydropyridine-4-carboxamide.
What is the SMILES notation for 2,3-dihydropyridine-4-carboxamide?
The canonical SMILES for 2,3-dihydropyridine-4-carboxamide is NC(=O)C1=CC=NCC1.
What is the InChIKey of 2,3-dihydropyridine-4-carboxamide?
The InChIKey is FRJBXVUNPZLVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-6(9)5-1-3-8-4-2-5/h1,3H,2,4H2,(H2,7,9).
What are the key properties of 2,3-dihydropyridine-4-carboxamide?
2,3-dihydropyridine-4-carboxamide has a molecular weight of 124.14 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 91606672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).