N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide

C17H22N4O2 — CID 113044277

IUPACN-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
SMILESCC(C)(C)Nc1ccc(NC(=O)CCOc2ccccc2)nn1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)19-15-10-9-14(20-21-15)18-16(22)11-12-23-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyVSNHSFPGYNOCJJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.09
Rot. Bonds6

About N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide

N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide (PubChem CID 113044277) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
PubChem CID113044277
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
SMILESCC(C)(C)Nc1ccc(NC(=O)CCOc2ccccc2)nn1
InChIInChI=1S/C17H22N4O2/c1-17(2,3)19-15-10-9-14(20-21-15)18-16(22)11-12-23-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyVSNHSFPGYNOCJJ-UHFFFAOYSA-N
XLogP3.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-[5-(N-methylanilino)-2-pyridinyl]-3-phenoxypropanamide
CID 113031674
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
CID 29260428
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]-3-phenoxypropanamide
CID 113042856
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-phenoxypropanamide
CID 113039338
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
N-[(2-methylpropan-2-yl)oxy]-3-phenoxypropanamide
CID 82724045
2-(3-phenoxypropanoylamino)pyridine-3-carboxylic acid
CID 63654084
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-3-phenoxypropanamide
CID 113045043
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679

Frequently Asked Questions

What is the IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide (CID 113044277) is N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide is CC(C)(C)Nc1ccc(NC(=O)CCOc2ccccc2)nn1.
What is the InChIKey of N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide?
The InChIKey is VSNHSFPGYNOCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-17(2,3)19-15-10-9-14(20-21-15)18-16(22)11-12-23-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,19,21)(H,18,20,22).
What are the key properties of N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide?
N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide has a molecular weight of 314.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 113044277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).