4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide

C7H6Cl2N2O2 — CID 23242566

IUPAC4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)c1c(Cl)cc(Cl)[nH]c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-10-6(12)5-3(8)2-4(9)11-7(5)13/h2H,1H3,(H,10,12)(H,11,13)
InChIKeyKORSWLCVCPETQX-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.04
Rot. Bonds1

About 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide

4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 23242566) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID23242566
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Name4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCNC(=O)c1c(Cl)cc(Cl)[nH]c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-10-6(12)5-3(8)2-4(9)11-7(5)13/h2H,1H3,(H,10,12)(H,11,13)
InChIKeyKORSWLCVCPETQX-UHFFFAOYSA-N
XLogP1.04
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 23242566) is 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide is CNC(=O)c1c(Cl)cc(Cl)[nH]c1=O.
What is the InChIKey of 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KORSWLCVCPETQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-10-6(12)5-3(8)2-4(9)11-7(5)13/h2H,1H3,(H,10,12)(H,11,13).
What are the key properties of 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide?
4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 221.04 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 23242566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).