5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide

C11H12N2O2 — CID 69289910

IUPAC5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide
SMILESCC(=O)C=C(C)c1ccc(C(N)=O)nc1
InChIInChI=1S/C11H12N2O2/c1-7(5-8(2)14)9-3-4-10(11(12)15)13-6-9/h3-6H,1-2H3,(H2,12,15)
InChIKeyCDZRYMSBNGKSAQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.17
Rot. Bonds3

About 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide

5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide (PubChem CID 69289910) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide
PubChem CID69289910
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide
SMILESCC(=O)C=C(C)c1ccc(C(N)=O)nc1
InChIInChI=1S/C11H12N2O2/c1-7(5-8(2)14)9-3-4-10(11(12)15)13-6-9/h3-6H,1-2H3,(H2,12,15)
InChIKeyCDZRYMSBNGKSAQ-UHFFFAOYSA-N
XLogP1.17
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide (CID 69289910) is 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide is CC(=O)C=C(C)c1ccc(C(N)=O)nc1.
What is the InChIKey of 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide?
The InChIKey is CDZRYMSBNGKSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(5-8(2)14)9-3-4-10(11(12)15)13-6-9/h3-6H,1-2H3,(H2,12,15).
What are the key properties of 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide?
5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide has a molecular weight of 204.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 69289910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).