2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide

C18H26N6O — CID 42111717

IUPAC2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
InChIInChI=1S/C18H26N6O/c1-4-14(5-2)18(25)20-12-11-19-15-9-10-17(24-23-15)22-16-8-6-7-13(3)21-16/h6-10,14H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,25)(H,21,22,24)
InChIKeyJFUWHICASSDUFC-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.89
Rot. Bonds9

About 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide

2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide (PubChem CID 42111717) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide
PubChem CID42111717
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1
InChIInChI=1S/C18H26N6O/c1-4-14(5-2)18(25)20-12-11-19-15-9-10-17(24-23-15)22-16-8-6-7-13(3)21-16/h6-10,14H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,25)(H,21,22,24)
InChIKeyJFUWHICASSDUFC-UHFFFAOYSA-N
XLogP2.89
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide with MolForge

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Related Compounds

5-bromo-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]furan-2-carboxamide
CID 42111727
N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 42111726
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
2-chloro-N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 133313845
2-ethyl-N-(6-methyl-2-pyridinyl)hexanamide
CID 3528260
2-ethyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]butanamide
CID 113039400
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
2-ethyl-N-[6-(pentylamino)pyridazin-3-yl]butanamide
CID 113044637
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-ethylbutanamide
CID 121074604
N,N-dimethyl-3-[(6-methyl-2-pyridinyl)amino]propanamide
CID 60926392

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide (CID 42111717) is 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide is CCC(CC)C(=O)NCCNc1ccc(Nc2cccc(C)n2)nn1.
What is the InChIKey of 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide?
The InChIKey is JFUWHICASSDUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-4-14(5-2)18(25)20-12-11-19-15-9-10-17(24-23-15)22-16-8-6-7-13(3)21-16/h6-10,14H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,25)(H,21,22,24).
What are the key properties of 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide?
2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide has a molecular weight of 342.45 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]butanamide is sourced from PubChem (CID 42111717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).