1,2-dihydropyridine-3-carboxamide

C6H8N2O — CID 5231521

IUPAC1,2-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CC=CNC1
InChIInChI=1S/C6H8N2O/c7-6(9)5-2-1-3-8-4-5/h1-3,8H,4H2,(H2,7,9)
InChIKeyNJQRAAHKQQPUIT-UHFFFAOYSA-N
MW124.14 g/mol
LogP-0.49
Rot. Bonds1

About 1,2-dihydropyridine-3-carboxamide

1,2-dihydropyridine-3-carboxamide (PubChem CID 5231521) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name1,2-dihydropyridine-3-carboxamide
PubChem CID5231521
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1,2-dihydropyridine-3-carboxamide
SMILESNC(=O)C1=CC=CNC1
InChIInChI=1S/C6H8N2O/c7-6(9)5-2-1-3-8-4-5/h1-3,8H,4H2,(H2,7,9)
InChIKeyNJQRAAHKQQPUIT-UHFFFAOYSA-N
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridine-3-carboxamide?
The IUPAC name of 1,2-dihydropyridine-3-carboxamide (CID 5231521) is 1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for 1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for 1,2-dihydropyridine-3-carboxamide is NC(=O)C1=CC=CNC1.
What is the InChIKey of 1,2-dihydropyridine-3-carboxamide?
The InChIKey is NJQRAAHKQQPUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-6(9)5-2-1-3-8-4-5/h1-3,8H,4H2,(H2,7,9).
What are the key properties of 1,2-dihydropyridine-3-carboxamide?
1,2-dihydropyridine-3-carboxamide has a molecular weight of 124.14 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 5231521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).