6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide

C9H10N2O2 — CID 28826296

IUPAC6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H10N2O2/c1-2-5-10-9(13)7-3-4-8(12)11-6-7/h2-4,6H,1,5H2,(H,10,13)(H,11,12)
InChIKeyVCAJWXGFXACETH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.29
Rot. Bonds3

About 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide

6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide (PubChem CID 28826296) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide
PubChem CID28826296
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H10N2O2/c1-2-5-10-9(13)7-3-4-8(12)11-6-7/h2-4,6H,1,5H2,(H,10,13)(H,11,12)
InChIKeyVCAJWXGFXACETH-UHFFFAOYSA-N
XLogP0.29
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
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 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide (CID 28826296) is 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide is C=CCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide?
The InChIKey is VCAJWXGFXACETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-2-5-10-9(13)7-3-4-8(12)11-6-7/h2-4,6H,1,5H2,(H,10,13)(H,11,12).
What are the key properties of 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide?
6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-prop-2-enyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 28826296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).