N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide

C15H15N5O — CID 133419002

IUPACN-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(Nc2ccc(C#N)nn2)cc1C
InChIInChI=1S/C15H15N5O/c1-9-6-13(7-10(2)15(9)17-11(3)21)18-14-5-4-12(8-16)19-20-14/h4-7H,1-3H3,(H,17,21)(H,18,20)
InChIKeySFVOMLHCNSHCPI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.67
Rot. Bonds3

About N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide

N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide (PubChem CID 133419002) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide
PubChem CID133419002
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide
SMILESCC(=O)Nc1c(C)cc(Nc2ccc(C#N)nn2)cc1C
InChIInChI=1S/C15H15N5O/c1-9-6-13(7-10(2)15(9)17-11(3)21)18-14-5-4-12(8-16)19-20-14/h4-7H,1-3H3,(H,17,21)(H,18,20)
InChIKeySFVOMLHCNSHCPI-UHFFFAOYSA-N
XLogP2.67
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide
CID 133415991
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
N-(4-anilino-2,6-dimethylphenyl)acetamide
CID 69353089
6-(4-ethylanilino)pyridazine-3-carbonitrile
CID 163350318
2-[(6-cyanopyridazin-3-yl)amino]propanamide
CID 130676267
6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
CID 163350395
6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
CID 133418637
N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide
CID 109128262
N-(4-cyano-3,5-dimethylphenyl)acetamide
CID 171976448
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
6-(4-bromo-3,5-dimethylanilino)pyridazine-3-carboxylic acid
CID 107575452
6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile
CID 133420091

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide?
The IUPAC name of N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide (CID 133419002) is N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide?
The canonical SMILES for N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide is CC(=O)Nc1c(C)cc(Nc2ccc(C#N)nn2)cc1C.
What is the InChIKey of N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide?
The InChIKey is SFVOMLHCNSHCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9-6-13(7-10(2)15(9)17-11(3)21)18-14-5-4-12(8-16)19-20-14/h4-7H,1-3H3,(H,17,21)(H,18,20).
What are the key properties of N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide?
N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 133419002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).