2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide

C18H30N4O2S — CID 170026597

IUPAC2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide
SMILESCSC(CC(C)C)C(C(N)=O)n1nc(CCN2CCC2)c(C)cc1=O
InChIInChI=1S/C18H30N4O2S/c1-12(2)10-15(25-4)17(18(19)24)22-16(23)11-13(3)14(20-22)6-9-21-7-5-8-21/h11-12,15,17H,5-10H2,1-4H3,(H2,19,24)
InChIKeyAYKJORVFXRWRKD-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.60
Rot. Bonds9

About 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide

2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide (PubChem CID 170026597) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide.

Molecular Properties

Compound Name2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide
PubChem CID170026597
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide
SMILESCSC(CC(C)C)C(C(N)=O)n1nc(CCN2CCC2)c(C)cc1=O
InChIInChI=1S/C18H30N4O2S/c1-12(2)10-15(25-4)17(18(19)24)22-16(23)11-13(3)14(20-22)6-9-21-7-5-8-21/h11-12,15,17H,5-10H2,1-4H3,(H2,19,24)
InChIKeyAYKJORVFXRWRKD-UHFFFAOYSA-N
XLogP1.60
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide with MolForge

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Related Compounds

(2S)-2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 168984601
methyl 4-methyl-2-[5-methyl-6-oxo-3-(2-pyrrolidin-1-ylethyl)pyridazin-1-yl]pentanoate
CID 170028443
2-[3-[2-(dimethylamino)ethyl]-4-methyl-6-oxopyridazin-1-yl]-4-methylpentanoic acid
CID 175588053
6-[2-(dimethylamino)ethyl]-5-methyl-2-[(2S)-4-methylpentan-2-yl]pyridazin-3-one
CID 175920204
ethane;4-methyl-2-[4-methyl-2-oxo-5-(2-pyrrolidin-1-ylethyl)-1-pyridinyl]pentanoic acid
CID 156728432
lithium;2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoic acid;ethyl 2-[5-[2-(azetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate;hydroxide
CID 159653011
(2S)-2-[3-[2-(3-fluoroazetidin-1-yl)ethyl]-5-methyl-6-oxopyridazin-1-yl]-4-methylpentanamide
CID 175920209
1,3-dimethyl-6-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 23400329
CID 174089736
CID 174089736
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxylic acid
CID 83823040
(2S)-4-methyl-2-[5-methyl-3-[2-(3-methylazetidin-1-yl)ethyl]-6-oxopyridazin-1-yl]pentanoic acid
CID 168984500
2-methyl-4-piperidin-1-ylbutanamide
CID 23061678

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide?
The IUPAC name of 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide (CID 170026597) is 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide.
What is the SMILES notation for 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide?
The canonical SMILES for 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide is CSC(CC(C)C)C(C(N)=O)n1nc(CCN2CCC2)c(C)cc1=O.
What is the InChIKey of 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide?
The InChIKey is AYKJORVFXRWRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-12(2)10-15(25-4)17(18(19)24)22-16(23)11-13(3)14(20-22)6-9-21-7-5-8-21/h11-12,15,17H,5-10H2,1-4H3,(H2,19,24).
What are the key properties of 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide?
2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide has a molecular weight of 366.53 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(azetidin-1-yl)ethyl]-4-methyl-6-oxopyridazin-1-yl]-5-methyl-3-methylsulfanylhexanamide is sourced from PubChem (CID 170026597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).