4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide

C16H25N5O3S — CID 29339406

IUPAC4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC(=O)Nc1ccc(SCCCC(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C16H25N5O3S/c1-13(22)18-14-4-5-16(20-19-14)25-12-2-3-15(23)17-6-7-21-8-10-24-11-9-21/h4-5H,2-3,6-12H2,1H3,(H,17,23)(H,18,19,22)
InChIKeyMNIJXNWLBLNGAV-UHFFFAOYSA-N
MW367.48 g/mol
LogP0.76
Rot. Bonds9

About 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide

4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 29339406) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID29339406
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCC(=O)Nc1ccc(SCCCC(=O)NCCN2CCOCC2)nn1
InChIInChI=1S/C16H25N5O3S/c1-13(22)18-14-4-5-16(20-19-14)25-12-2-3-15(23)17-6-7-21-8-10-24-11-9-21/h4-5H,2-3,6-12H2,1H3,(H,17,23)(H,18,19,22)
InChIKeyMNIJXNWLBLNGAV-UHFFFAOYSA-N
XLogP0.76
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2-morpholin-4-ylethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide
CID 30851593
2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 112520327
4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)butanamide
CID 42734352
N-(2-morpholin-4-ylethyl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 42741449
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
N-(2-morpholin-4-ylethyl)-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109115507
4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(2-morpholin-4-ylethyl)butanamide
CID 24819328
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 110333564
2-(4-fluorophenyl)-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]acetamide
CID 113040035
2-(4-methoxyphenyl)-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]acetamide
CID 113040037

Frequently Asked Questions

What is the IUPAC name of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide (CID 29339406) is 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide is CC(=O)Nc1ccc(SCCCC(=O)NCCN2CCOCC2)nn1.
What is the InChIKey of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is MNIJXNWLBLNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-13(22)18-14-4-5-16(20-19-14)25-12-2-3-15(23)17-6-7-21-8-10-24-11-9-21/h4-5H,2-3,6-12H2,1H3,(H,17,23)(H,18,19,22).
What are the key properties of 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide?
4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 367.48 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetamidopyridazin-3-yl)sulfanyl-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 29339406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).