5-(2,3-dioxobutyl)pyridine-3-carboxamide

C10H10N2O3 — CID 164952929

IUPAC5-(2,3-dioxobutyl)pyridine-3-carboxamide
SMILESCC(=O)C(=O)Cc1cncc(C(N)=O)c1
InChIInChI=1S/C10H10N2O3/c1-6(13)9(14)3-7-2-8(10(11)15)5-12-4-7/h2,4-5H,3H2,1H3,(H2,11,15)
InChIKeyNKHMYUAJABXGCF-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.12
Rot. Bonds4

About 5-(2,3-dioxobutyl)pyridine-3-carboxamide

5-(2,3-dioxobutyl)pyridine-3-carboxamide (PubChem CID 164952929) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(2,3-dioxobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dioxobutyl)pyridine-3-carboxamide
PubChem CID164952929
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-(2,3-dioxobutyl)pyridine-3-carboxamide
SMILESCC(=O)C(=O)Cc1cncc(C(N)=O)c1
InChIInChI=1S/C10H10N2O3/c1-6(13)9(14)3-7-2-8(10(11)15)5-12-4-7/h2,4-5H,3H2,1H3,(H2,11,15)
InChIKeyNKHMYUAJABXGCF-UHFFFAOYSA-N
XLogP-0.12
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dioxobutyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,3-dioxobutyl)pyridine-3-carboxamide (CID 164952929) is 5-(2,3-dioxobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dioxobutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,3-dioxobutyl)pyridine-3-carboxamide is CC(=O)C(=O)Cc1cncc(C(N)=O)c1.
What is the InChIKey of 5-(2,3-dioxobutyl)pyridine-3-carboxamide?
The InChIKey is NKHMYUAJABXGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6(13)9(14)3-7-2-8(10(11)15)5-12-4-7/h2,4-5H,3H2,1H3,(H2,11,15).
What are the key properties of 5-(2,3-dioxobutyl)pyridine-3-carboxamide?
5-(2,3-dioxobutyl)pyridine-3-carboxamide has a molecular weight of 206.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dioxobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 164952929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).