2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide

C10H12N4O2 — CID 116787078

IUPAC2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H12N4O2/c1-3-10(2,6-11)9(16)12-7-4-5-8(15)14-13-7/h4-5H,3H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKeyOFJCBSMHGYHPSI-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.65
Rot. Bonds3

About 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide

2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide (PubChem CID 116787078) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
PubChem CID116787078
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide
SMILESCCC(C)(C#N)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C10H12N4O2/c1-3-10(2,6-11)9(16)12-7-4-5-8(15)14-13-7/h4-5H,3H2,1-2H3,(H,14,15)(H,12,13,16)
InChIKeyOFJCBSMHGYHPSI-UHFFFAOYSA-N
XLogP0.65
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-oxo-3-[(6-oxo-1H-pyridazin-3-yl)amino]propanoic acid
CID 116787450
2-cyano-2-methyl-N-pyrimidin-2-ylbutanamide
CID 114291024
2-cyano-2-methyl-N-pyridin-4-ylbutanamide
CID 114291006
2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 116787071
1-tert-butyl-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887248
2-cyano-2-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 114291581
6-amino-4,4-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)hexanamide
CID 116786923
3-(2,2-dimethylpropylamino)-1H-pyridazin-6-one
CID 126992242
2-cyano-N-(3,5-dichlorophenyl)-2-methylbutanamide
CID 13475373
1-(6-oxo-1H-pyridazin-3-yl)-3-prop-2-enylurea
CID 108887387
5-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyrazine-2-carboxamide
CID 107377055
2-cyano-N-(2,4-difluorophenyl)-2-methylbutanamide
CID 113270152

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The IUPAC name of 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide (CID 116787078) is 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide is CCC(C)(C#N)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
The InChIKey is OFJCBSMHGYHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-10(2,6-11)9(16)12-7-4-5-8(15)14-13-7/h4-5H,3H2,1-2H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide?
2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide has a molecular weight of 220.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)butanamide is sourced from PubChem (CID 116787078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).