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

C19H22N6O — CID 122292805

IUPAC3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESCc1cccc(CCC(=O)NCCNc2ccc(-n3cccn3)nn2)c1
InChIInChI=1S/C19H22N6O/c1-15-4-2-5-16(14-15)6-9-19(26)21-12-11-20-17-7-8-18(24-23-17)25-13-3-10-22-25/h2-5,7-8,10,13-14H,6,9,11-12H2,1H3,(H,20,23)(H,21,26)
InChIKeyVLLZVRDTRVKBOW-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.13
Rot. Bonds8

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

3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide (PubChem CID 122292805) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
PubChem CID122292805
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESCc1cccc(CCC(=O)NCCNc2ccc(-n3cccn3)nn2)c1
InChIInChI=1S/C19H22N6O/c1-15-4-2-5-16(14-15)6-9-19(26)21-12-11-20-17-7-8-18(24-23-17)25-13-3-10-22-25/h2-5,7-8,10,13-14H,6,9,11-12H2,1H3,(H,20,23)(H,21,26)
InChIKeyVLLZVRDTRVKBOW-UHFFFAOYSA-N
XLogP2.13
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

2-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292745
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292723
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
(E)-3-(2-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]prop-2-enamide
CID 122292858
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122293663
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
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122320841
3-bromo-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 56699820

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide (CID 122292805) is 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide is Cc1cccc(CCC(=O)NCCNc2ccc(-n3cccn3)nn2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The InChIKey is VLLZVRDTRVKBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-15-4-2-5-16(14-15)6-9-19(26)21-12-11-20-17-7-8-18(24-23-17)25-13-3-10-22-25/h2-5,7-8,10,13-14H,6,9,11-12H2,1H3,(H,20,23)(H,21,26).
What are the key properties of 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide has a molecular weight of 350.43 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide is sourced from PubChem (CID 122292805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).