2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

C18H20N6O — CID 122292745

IUPAC2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCc1cccc(CC(=O)NCCNc2ccc(-n3cccn3)nn2)c1
InChIInChI=1S/C18H20N6O/c1-14-4-2-5-15(12-14)13-18(25)20-10-9-19-16-6-7-17(23-22-16)24-11-3-8-21-24/h2-8,11-12H,9-10,13H2,1H3,(H,19,22)(H,20,25)
InChIKeySEDJHUWRDMSNLB-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.74
Rot. Bonds7

About 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide

2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (PubChem CID 122292745) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
PubChem CID122292745
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
SMILESCc1cccc(CC(=O)NCCNc2ccc(-n3cccn3)nn2)c1
InChIInChI=1S/C18H20N6O/c1-14-4-2-5-15(12-14)13-18(25)20-10-9-19-16-6-7-17(23-22-16)24-11-3-8-21-24/h2-8,11-12H,9-10,13H2,1H3,(H,19,22)(H,20,25)
InChIKeySEDJHUWRDMSNLB-UHFFFAOYSA-N
XLogP1.74
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122289096
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292723
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820
(E)-3-(2-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]prop-2-enamide
CID 122292858
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
benzyl N-[2-oxo-2-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]carbamate
CID 122292820
1-(2-ethylphenyl)-3-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122292682
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(3-methylphenyl)acetamide
CID 122290839

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide (CID 122292745) is 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is Cc1cccc(CC(=O)NCCNc2ccc(-n3cccn3)nn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
The InChIKey is SEDJHUWRDMSNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-14-4-2-5-15(12-14)13-18(25)20-10-9-19-16-6-7-17(23-22-16)24-11-3-8-21-24/h2-8,11-12H,9-10,13H2,1H3,(H,19,22)(H,20,25).
What are the key properties of 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide?
2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide has a molecular weight of 336.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122292745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).