N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide

C15H23N3O2S — CID 74236218

IUPACN-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCCSC2CCCCC2)ccc1=O
InChIInChI=1S/C15H23N3O2S/c1-18-14(19)9-8-13(17-18)15(20)16-10-5-11-21-12-6-3-2-4-7-12/h8-9,12H,2-7,10-11H2,1H3,(H,16,20)
InChIKeyAMGFQTXFDFZYRC-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.97
Rot. Bonds6

About N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 74236218) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID74236218
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCCSC2CCCCC2)ccc1=O
InChIInChI=1S/C15H23N3O2S/c1-18-14(19)9-8-13(17-18)15(20)16-10-5-11-21-12-6-3-2-4-7-12/h8-9,12H,2-7,10-11H2,1H3,(H,16,20)
InChIKeyAMGFQTXFDFZYRC-UHFFFAOYSA-N
XLogP1.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(isobutylsulfonyl)ethyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 74235415
1-methyl-6-oxo-N-(2-((tetrahydro-2H-pyran-4-yl)thio)ethyl)-1,6-dihydropyridazine-3-carboxamide
CID 86265225
N-[2-(2,2-dimethylpropylsulfanyl)-1-(6-oxo-1H-pyridazin-3-yl)ethyl]acetamide
CID 141377639
N-cyclohexyl-2-[3-(5-methyl-2,3-dihydrothiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 166850904
N-(2-cyclopentylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 45880903
1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide
CID 71971589
1-methyl-6-oxo-N-[1-(tetrahydro-2H-thiopyran-4-yl)piperidin-4-yl]-1,6-dihydropyridazine-3-carboxamide
CID 74230788
1-methyl-6-oxo-N-[[(2S)-thiolan-2-yl]methyl]pyridazine-3-carboxamide
CID 97598054
1-methyl-6-oxo-N-[[(2R)-thiolan-2-yl]methyl]pyridazine-3-carboxamide
CID 97598055
N-(2-methylsulfanylethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600737
2-(3-Ethylsulfanylpropyl)-6-methylpyridazin-3-one
CID 103698335
6-oxo-N-(thiolan-3-yl)-1H-pyridazine-3-carboxamide
CID 103708643

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 74236218) is N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCCCSC2CCCCC2)ccc1=O.
What is the InChIKey of N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is AMGFQTXFDFZYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18-14(19)9-8-13(17-18)15(20)16-10-5-11-21-12-6-3-2-4-7-12/h8-9,12H,2-7,10-11H2,1H3,(H,16,20).
What are the key properties of N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylsulfanylpropyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 74236218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).