2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide

C22H29N7O — CID 133489053

IUPAC2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide
SMILESCC(C)(C)c1nnc2ccc(NC3CCN(CC(=O)Nc4ccccc4)CC3)nn12
InChIInChI=1S/C22H29N7O/c1-22(2,3)21-26-25-19-10-9-18(27-29(19)21)23-17-11-13-28(14-12-17)15-20(30)24-16-7-5-4-6-8-16/h4-10,17H,11-15H2,1-3H3,(H,23,27)(H,24,30)
InChIKeyUPKXJJMNOJHGTJ-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide

2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide (PubChem CID 133489053) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide
PubChem CID133489053
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide
SMILESCC(C)(C)c1nnc2ccc(NC3CCN(CC(=O)Nc4ccccc4)CC3)nn12
InChIInChI=1S/C22H29N7O/c1-22(2,3)21-26-25-19-10-9-18(27-29(19)21)23-17-11-13-28(14-12-17)15-20(30)24-16-7-5-4-6-8-16/h4-10,17H,11-15H2,1-3H3,(H,23,27)(H,24,30)
InChIKeyUPKXJJMNOJHGTJ-UHFFFAOYSA-N
XLogP2.94
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987
2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 60520984
2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 55544817
3-tert-butyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489059
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-N-phenylacetamide
CID 70256212
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-phenylpiperidine-3-carboxamide
CID 133488886
2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrazol-1-yl]acetic acid
CID 146141777
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide (CID 133489053) is 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide is CC(C)(C)c1nnc2ccc(NC3CCN(CC(=O)Nc4ccccc4)CC3)nn12.
What is the InChIKey of 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide?
The InChIKey is UPKXJJMNOJHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-22(2,3)21-26-25-19-10-9-18(27-29(19)21)23-17-11-13-28(14-12-17)15-20(30)24-16-7-5-4-6-8-16/h4-10,17H,11-15H2,1-3H3,(H,23,27)(H,24,30).
What are the key properties of 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide?
2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide has a molecular weight of 407.52 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 133489053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).