4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide

C19H19N7O — CID 122293094

IUPAC4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(C#N)cc3)nn2)n1
InChIInChI=1S/C19H19N7O/c1-13-11-14(2)26(25-13)18-8-7-17(23-24-18)21-9-10-22-19(27)16-5-3-15(12-20)4-6-16/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,27)
InChIKeyZJZSKPQEGGAFEE-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.99
Rot. Bonds6

About 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide

4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide (PubChem CID 122293094) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
PubChem CID122293094
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
SMILESCc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(C#N)cc3)nn2)n1
InChIInChI=1S/C19H19N7O/c1-13-11-14(2)26(25-13)18-8-7-17(23-24-18)21-9-10-22-19(27)16-5-3-15(12-20)4-6-16/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,27)
InChIKeyZJZSKPQEGGAFEE-UHFFFAOYSA-N
XLogP1.99
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3,4-dimethylbenzamide
CID 16654487
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122292993
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-3-carboxamide
CID 122293107
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-4-ethylbenzamide
CID 121072362
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122293045
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-2-carboxamide
CID 122293129
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]quinoxaline-2-carboxamide
CID 122293087
1-(3,5-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654464
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121072408
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]quinoline-2-carboxamide
CID 122293049
2-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122293263

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide (CID 122293094) is 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide is Cc1cc(C)n(-c2ccc(NCCNC(=O)c3ccc(C#N)cc3)nn2)n1.
What is the InChIKey of 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
The InChIKey is ZJZSKPQEGGAFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-13-11-14(2)26(25-13)18-8-7-17(23-24-18)21-9-10-22-19(27)16-5-3-15(12-20)4-6-16/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H,22,27).
What are the key properties of 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide?
4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide has a molecular weight of 361.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide is sourced from PubChem (CID 122293094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).