2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

C20H22N6O — CID 122289096

IUPAC2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1cccc(CC(=O)NCCNc2ccc(Nc3ccncc3)nn2)c1
InChIInChI=1S/C20H22N6O/c1-15-3-2-4-16(13-15)14-20(27)23-12-11-22-18-5-6-19(26-25-18)24-17-7-9-21-10-8-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,27)(H,21,24,26)
InChIKeySTOMIWIWAUVOIJ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.69
Rot. Bonds8

About 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122289096) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID122289096
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1cccc(CC(=O)NCCNc2ccc(Nc3ccncc3)nn2)c1
InChIInChI=1S/C20H22N6O/c1-15-3-2-4-16(13-15)14-20(27)23-12-11-22-18-5-6-19(26-25-18)24-17-7-9-21-10-8-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,27)(H,21,24,26)
InChIKeySTOMIWIWAUVOIJ-UHFFFAOYSA-N
XLogP2.69
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065151
2-(4-chlorophenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 121065101
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
3,4-dimethyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56699027
1-(3,5-dimethylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065114
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
4-acetyl-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 122289215
1-(3-chlorophenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065102
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
2-chloro-6-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700402
1-(3-fluoro-4-methylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065120
4-fluoro-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 56700102

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (CID 122289096) is 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is Cc1cccc(CC(=O)NCCNc2ccc(Nc3ccncc3)nn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is STOMIWIWAUVOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-3-2-4-16(13-15)14-20(27)23-12-11-22-18-5-6-19(26-25-18)24-17-7-9-21-10-8-17/h2-10,13H,11-12,14H2,1H3,(H,22,25)(H,23,27)(H,21,24,26).
What are the key properties of 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 362.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122289096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).