2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide

C12H11ClN4O2 — CID 116786621

IUPAC2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(=O)[nH]n2)cc(Cl)n1
InChIInChI=1S/C12H11ClN4O2/c1-2-8-5-7(6-9(13)14-8)12(19)15-10-3-4-11(18)17-16-10/h3-6H,2H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyZWOXLZLOMSSBQX-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.63
Rot. Bonds3

About 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide

2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide (PubChem CID 116786621) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
PubChem CID116786621
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(=O)[nH]n2)cc(Cl)n1
InChIInChI=1S/C12H11ClN4O2/c1-2-8-5-7(6-9(13)14-8)12(19)15-10-3-4-11(18)17-16-10/h3-6H,2H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyZWOXLZLOMSSBQX-UHFFFAOYSA-N
XLogP1.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(6-oxo-1H-pyridazin-3-yl)-6-propylpyridine-4-carboxamide
CID 116788000
4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786983
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107573376
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786641
2-chloro-6-ethyl-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-4-carboxamide
CID 106954276
N-(6-oxo-1H-pyridazin-3-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 116787480
N-(3-bromo-5-methylphenyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 107582987
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553
2-chloro-6-ethyl-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 114912055
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 116788007
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide (CID 116786621) is 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide is CCc1cc(C(=O)Nc2ccc(=O)[nH]n2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide?
The InChIKey is ZWOXLZLOMSSBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-2-8-5-7(6-9(13)14-8)12(19)15-10-3-4-11(18)17-16-10/h3-6H,2H2,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide?
2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(6-oxo-1H-pyridazin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 116786621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).