5-methyl-2-oxo-3H-pyridine-3-carboxamide

C7H8N2O2 — CID 73164311

IUPAC5-methyl-2-oxo-3H-pyridine-3-carboxamide
SMILESCC1=CC(C(N)=O)C(=O)N=C1
InChIInChI=1S/C7H8N2O2/c1-4-2-5(6(8)10)7(11)9-3-4/h2-3,5H,1H3,(H2,8,10)
InChIKeyPJEDEGYEMQHKFN-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.35
Rot. Bonds1

About 5-methyl-2-oxo-3H-pyridine-3-carboxamide

5-methyl-2-oxo-3H-pyridine-3-carboxamide (PubChem CID 73164311) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 5-methyl-2-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxo-3H-pyridine-3-carboxamide
PubChem CID73164311
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name5-methyl-2-oxo-3H-pyridine-3-carboxamide
SMILESCC1=CC(C(N)=O)C(=O)N=C1
InChIInChI=1S/C7H8N2O2/c1-4-2-5(6(8)10)7(11)9-3-4/h2-3,5H,1H3,(H2,8,10)
InChIKeyPJEDEGYEMQHKFN-UHFFFAOYSA-N
XLogP-0.35
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of 5-methyl-2-oxo-3H-pyridine-3-carboxamide (CID 73164311) is 5-methyl-2-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-2-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-2-oxo-3H-pyridine-3-carboxamide is CC1=CC(C(N)=O)C(=O)N=C1.
What is the InChIKey of 5-methyl-2-oxo-3H-pyridine-3-carboxamide?
The InChIKey is PJEDEGYEMQHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-4-2-5(6(8)10)7(11)9-3-4/h2-3,5H,1H3,(H2,8,10).
What are the key properties of 5-methyl-2-oxo-3H-pyridine-3-carboxamide?
5-methyl-2-oxo-3H-pyridine-3-carboxamide has a molecular weight of 152.15 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 73164311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).