N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide

C19H22N6O — CID 122327087

IUPACN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)CCc3ccccc3)nn2)n1
InChIInChI=1S/C19H22N6O/c1-15-11-14-25(24-15)18-9-8-17(22-23-18)20-12-13-21-19(26)10-7-16-5-3-2-4-6-16/h2-6,8-9,11,14H,7,10,12-13H2,1H3,(H,20,22)(H,21,26)
InChIKeyDDXGNHQOANEJKW-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.13
Rot. Bonds8

About N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide

N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide (PubChem CID 122327087) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
PubChem CID122327087
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)CCc3ccccc3)nn2)n1
InChIInChI=1S/C19H22N6O/c1-15-11-14-25(24-15)18-9-8-17(22-23-18)20-12-13-21-19(26)10-7-16-5-3-2-4-6-16/h2-6,8-9,11,14H,7,10,12-13H2,1H3,(H,20,22)(H,21,26)
InChIKeyDDXGNHQOANEJKW-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'}

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Related Compounds

2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327185
3-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122323629
2,2-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122327081
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327239
4-acetyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzamide
CID 122327312
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]indolizine-2-carboxamide
CID 122327290
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide (CID 122327087) is N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide is Cc1ccn(-c2ccc(NCCNC(=O)CCc3ccccc3)nn2)n1.
What is the InChIKey of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide?
The InChIKey is DDXGNHQOANEJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-15-11-14-25(24-15)18-9-8-17(22-23-18)20-12-13-21-19(26)10-7-16-5-3-2-4-6-16/h2-6,8-9,11,14H,7,10,12-13H2,1H3,(H,20,22)(H,21,26).
What are the key properties of N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide?
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide 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 N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 122327087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).