4H-pyridine-1-carboxamide

C6H8N2O — CID 22402669

IUPAC4H-pyridine-1-carboxamide
SMILESNC(=O)N1C=CCC=C1
InChIInChI=1S/C6H8N2O/c7-6(9)8-4-2-1-3-5-8/h2-5H,1H2,(H2,7,9)
InChIKeyICSKDKLBFJEZST-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.80
Rot. Bonds

About 4H-pyridine-1-carboxamide

4H-pyridine-1-carboxamide (PubChem CID 22402669) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4H-pyridine-1-carboxamide
PubChem CID22402669
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4H-pyridine-1-carboxamide
SMILESNC(=O)N1C=CCC=C1
InChIInChI=1S/C6H8N2O/c7-6(9)8-4-2-1-3-5-8/h2-5H,1H2,(H2,7,9)
InChIKeyICSKDKLBFJEZST-UHFFFAOYSA-N
XLogP0.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-pyridine-1-carboxamide?
The IUPAC name of 4H-pyridine-1-carboxamide (CID 22402669) is 4H-pyridine-1-carboxamide.
What is the SMILES notation for 4H-pyridine-1-carboxamide?
The canonical SMILES for 4H-pyridine-1-carboxamide is NC(=O)N1C=CCC=C1.
What is the InChIKey of 4H-pyridine-1-carboxamide?
The InChIKey is ICSKDKLBFJEZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-6(9)8-4-2-1-3-5-8/h2-5H,1H2,(H2,7,9).
What are the key properties of 4H-pyridine-1-carboxamide?
4H-pyridine-1-carboxamide has a molecular weight of 124.14 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyridine-1-carboxamide is sourced from PubChem (CID 22402669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).