1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide

C16H24N4O2S — CID 74230788

IUPAC1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(C3CCSCC3)CC2)ccc1=O
InChIInChI=1S/C16H24N4O2S/c1-19-15(21)3-2-14(18-19)16(22)17-12-4-8-20(9-5-12)13-6-10-23-11-7-13/h2-3,12-13H,4-11H2,1H3,(H,17,22)
InChIKeyJIWLRKZJJGAFFA-UHFFFAOYSA-N
MW336.46 g/mol
LogP0.87
Rot. Bonds3

About 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide (PubChem CID 74230788) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide
PubChem CID74230788
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCN(C3CCSCC3)CC2)ccc1=O
InChIInChI=1S/C16H24N4O2S/c1-19-15(21)3-2-14(18-19)16(22)17-12-4-8-20(9-5-12)13-6-10-23-11-7-13/h2-3,12-13H,4-11H2,1H3,(H,17,22)
InChIKeyJIWLRKZJJGAFFA-UHFFFAOYSA-N
XLogP0.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 36263363
N-(1-acetylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 45796574
N-(1-acetylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47114515
N-(1-methylpiperidin-4-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 47116640
N-(1-ethylpiperidin-4-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 51193592
1-methyl-6-oxo-N-(1-propan-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
CID 51203850
1-butyl-N-(1,1-dioxo-4-piperidin-1-ylthiolan-3-yl)-6-oxopyridazine-3-carboxamide
CID 56390499
1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide
CID 71971589
2-methyl-6-{[4-(tetrahydro-2H-thiopyran-4-yl)piperazin-1-yl]carbonyl}pyridazin-3(2H)-one
CID 74230873
N-[3-(cyclohexylthio)propyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 74236218
2-methyl-6-[(4-thiomorpholin-4-ylpiperidin-1-yl)carbonyl]pyridazin-3(2H)-one
CID 74251429
1-methyl-6-oxo-N-(1-propylpiperidin-4-yl)pyridazine-3-carboxamide
CID 78809744

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide (CID 74230788) is 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCN(C3CCSCC3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide?
The InChIKey is JIWLRKZJJGAFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-19-15(21)3-2-14(18-19)16(22)17-12-4-8-20(9-5-12)13-6-10-23-11-7-13/h2-3,12-13H,4-11H2,1H3,(H,17,22).
What are the key properties of 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[1-(thian-4-yl)piperidin-4-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 74230788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).