2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide

C14H14N4O — CID 163859355

IUPAC2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide
SMILESC/N=C(\C(N)=O)c1cc(-c2ccnnc2)ccc1C
InChIInChI=1S/C14H14N4O/c1-9-3-4-10(11-5-6-17-18-8-11)7-12(9)13(16-2)14(15)19/h3-8H,1-2H3,(H2,15,19)/b16-13-
InChIKeyPBCYSESTTYOINQ-SSZFMOIBSA-N
MW254.29 g/mol
LogP1.36
Rot. Bonds3

About 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide

2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide (PubChem CID 163859355) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide
PubChem CID163859355
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide
SMILESC/N=C(\C(N)=O)c1cc(-c2ccnnc2)ccc1C
InChIInChI=1S/C14H14N4O/c1-9-3-4-10(11-5-6-17-18-8-11)7-12(9)13(16-2)14(15)19/h3-8H,1-2H3,(H2,15,19)/b16-13-
InChIKeyPBCYSESTTYOINQ-SSZFMOIBSA-N
XLogP1.36
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide?
The IUPAC name of 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide (CID 163859355) is 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide?
The canonical SMILES for 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide is C/N=C(\C(N)=O)c1cc(-c2ccnnc2)ccc1C.
What is the InChIKey of 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide?
The InChIKey is PBCYSESTTYOINQ-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-3-4-10(11-5-6-17-18-8-11)7-12(9)13(16-2)14(15)19/h3-8H,1-2H3,(H2,15,19)/b16-13-.
What are the key properties of 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide?
2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide has a molecular weight of 254.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-2-(2-methyl-5-pyridazin-4-ylphenyl)acetamide is sourced from PubChem (CID 163859355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).