4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide

C12H12N4O2 — CID 177028228

IUPAC4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide
SMILESCCc1cc[nH]c(=O)c1C(=O)Nc1ccnnc1
InChIInChI=1S/C12H12N4O2/c1-2-8-3-5-13-11(17)10(8)12(18)16-9-4-6-14-15-7-9/h3-7H,2H2,1H3,(H,13,17)(H,14,16,18)
InChIKeyHEFAIHZDXXURAQ-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.98
Rot. Bonds3

About 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide

4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 177028228) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide
PubChem CID177028228
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide
SMILESCCc1cc[nH]c(=O)c1C(=O)Nc1ccnnc1
InChIInChI=1S/C12H12N4O2/c1-2-8-3-5-13-11(17)10(8)12(18)16-9-4-6-14-15-7-9/h3-7H,2H2,1H3,(H,13,17)(H,14,16,18)
InChIKeyHEFAIHZDXXURAQ-UHFFFAOYSA-N
XLogP0.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide (CID 177028228) is 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide is CCc1cc[nH]c(=O)c1C(=O)Nc1ccnnc1.
What is the InChIKey of 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is HEFAIHZDXXURAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-2-8-3-5-13-11(17)10(8)12(18)16-9-4-6-14-15-7-9/h3-7H,2H2,1H3,(H,13,17)(H,14,16,18).
What are the key properties of 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide?
4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-oxo-N-pyridazin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 177028228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).