N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide

C15H17N3OS — CID 42172348

IUPACN-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide
SMILESCSc1ccc(NC(=O)CCCc2ccccc2)nn1
InChIInChI=1S/C15H17N3OS/c1-20-15-11-10-13(17-18-15)16-14(19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17,19)
InChIKeyQXNBOKHTEUDWBE-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.16
Rot. Bonds6

About N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide

N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide (PubChem CID 42172348) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide
PubChem CID42172348
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide
SMILESCSc1ccc(NC(=O)CCCc2ccccc2)nn1
InChIInChI=1S/C15H17N3OS/c1-20-15-11-10-13(17-18-15)16-14(19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17,19)
InChIKeyQXNBOKHTEUDWBE-UHFFFAOYSA-N
XLogP3.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051558
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(6-chloro-2-methyl-3-pyridinyl)-4-phenylbutanamide
CID 107300978
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
2,3,4-trifluoro-5-(4-phenylbutanoylamino)benzamide
CID 173151709
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587
N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide
CID 42138315
1-(2-methylsulfanylphenyl)-4-phenylbutan-1-one
CID 114969898
2-(2-fluorophenyl)-N-[6-(3-phenylpropylamino)pyridazin-3-yl]acetamide
CID 113044121
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-phenylbutanamide
CID 1223668

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide?
The IUPAC name of N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide (CID 42172348) is N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide?
The canonical SMILES for N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide is CSc1ccc(NC(=O)CCCc2ccccc2)nn1.
What is the InChIKey of N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide?
The InChIKey is QXNBOKHTEUDWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-20-15-11-10-13(17-18-15)16-14(19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3,(H,16,17,19).
What are the key properties of N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide?
N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide has a molecular weight of 287.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanylpyridazin-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 42172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).