N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide

C11H8ClN3O2 — CID 78929856

IUPACN-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H8ClN3O2/c12-9-3-2-8(6-13-9)15-11(17)7-1-4-10(16)14-5-7/h1-6H,(H,14,16)(H,15,17)
InChIKeyOGRPODDFDWXFOX-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.68
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide

N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 78929856) has the molecular formula C11H8ClN3O2 and a molecular weight of 249.66 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID78929856
Molecular FormulaC11H8ClN3O2
Molecular Weight249.66 g/mol
Exact Mass249.03
IUPAC NameN-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H8ClN3O2/c12-9-3-2-8(6-13-9)15-11(17)7-1-4-10(16)14-5-7/h1-6H,(H,14,16)(H,15,17)
InChIKeyOGRPODDFDWXFOX-UHFFFAOYSA-N
XLogP1.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8745096
N-(6-chloro-3-pyridinyl)-4-hydroxybenzamide
CID 103875090
N-(6-bromo-3-pyridinyl)-6-chloropyridine-3-carboxamide
CID 103789282
N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114074381
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
6-bromo-N-(6-chloro-3-pyridinyl)pyridine-3-carboxamide
CID 79420958
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350
3-bromo-4-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113329917
6-chloro-N-(6-chloro-3-pyridinyl)pyrazine-2-carboxamide
CID 103186985
N-(4-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8015151
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide (CID 78929856) is N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(Cl)nc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OGRPODDFDWXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O2/c12-9-3-2-8(6-13-9)15-11(17)7-1-4-10(16)14-5-7/h1-6H,(H,14,16)(H,15,17).
What are the key properties of N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 249.66 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 78929856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).