N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide

C17H22N4O2 — CID 113048612

IUPACN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nn1
InChIInChI=1S/C17H22N4O2/c1-4-7-17(22)19-16-11-10-15(20-21-16)18-13-8-5-6-9-14(13)23-12(2)3/h5-6,8-12H,4,7H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyUVLANAQZGFFXGJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.75
Rot. Bonds7

About N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide (PubChem CID 113048612) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
PubChem CID113048612
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nn1
InChIInChI=1S/C17H22N4O2/c1-4-7-17(22)19-16-11-10-15(20-21-16)18-13-8-5-6-9-14(13)23-12(2)3/h5-6,8-12H,4,7H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyUVLANAQZGFFXGJ-UHFFFAOYSA-N
XLogP3.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
N-[6-(2-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048085
4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048626
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113048664
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048646
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
CID 113047604
N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109118892
N-[6-(2-ethylanilino)pyridazin-3-yl]pentanamide
CID 113046636

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide (CID 113048612) is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nn1.
What is the InChIKey of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide?
The InChIKey is UVLANAQZGFFXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-7-17(22)19-16-11-10-15(20-21-16)18-13-8-5-6-9-14(13)23-12(2)3/h5-6,8-12H,4,7H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide?
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113048612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).