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

C19H28N6O — CID 122327081

IUPAC3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)CCC3CCCCC3)nn2)n1
InChIInChI=1S/C19H28N6O/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/h8-9,11,14,16H,2-7,10,12-13H2,1H3,(H,20,22)(H,21,26)
InChIKeyXVXHUSMUNRNMEZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.86
Rot. Bonds8

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

3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide (PubChem CID 122327081) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
PubChem CID122327081
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
SMILESCc1ccn(-c2ccc(NCCNC(=O)CCC3CCCCC3)nn2)n1
InChIInChI=1S/C19H28N6O/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/h8-9,11,14,16H,2-7,10,12-13H2,1H3,(H,20,22)(H,21,26)
InChIKeyXVXHUSMUNRNMEZ-UHFFFAOYSA-N
XLogP2.86
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.86
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-dimethyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 70703293
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327239
N-(cyclopropylmethyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133441969
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327311
6-cyclopentyloxy-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-3-carboxamide
CID 122327303
2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327185
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-6-oxopiperidine-3-carboxamide
CID 122327269
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 121072377
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122293845

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide (CID 122327081) is 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide is Cc1ccn(-c2ccc(NCCNC(=O)CCC3CCCCC3)nn2)n1.
What is the InChIKey of 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide?
The InChIKey is XVXHUSMUNRNMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/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/h8-9,11,14,16H,2-7,10,12-13H2,1H3,(H,20,22)(H,21,26).
What are the key properties of 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide?
3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide is sourced from PubChem (CID 122327081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).