1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide

C21H28N4O4S — CID 55381555

IUPAC1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C21H28N4O4S/c1-2-3-15-25-20(26)12-11-19(23-25)21(27)22-16-17-7-9-18(10-8-17)30(28,29)24-13-5-4-6-14-24/h7-12H,2-6,13-16H2,1H3,(H,22,27)
InChIKeyMNPMAUHBGIKRTG-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.15
Rot. Bonds8

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

1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 55381555) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID55381555
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O
InChIInChI=1S/C21H28N4O4S/c1-2-3-15-25-20(26)12-11-19(23-25)21(27)22-16-17-7-9-18(10-8-17)30(28,29)24-13-5-4-6-14-24/h7-12H,2-6,13-16H2,1H3,(H,22,27)
InChIKeyMNPMAUHBGIKRTG-UHFFFAOYSA-N
XLogP2.15
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18105453
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33297886
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
2-butyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55337886
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 51197502
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 55311088
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-butyl-6-oxopyridazine-3-carboxamide
CID 49047307
2-butylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55924390
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
5-chloro-1,3-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 46593410
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18117439

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide (CID 55381555) is 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide is CCCCn1nc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O.
What is the InChIKey of 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is MNPMAUHBGIKRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-2-3-15-25-20(26)12-11-19(23-25)21(27)22-16-17-7-9-18(10-8-17)30(28,29)24-13-5-4-6-14-24/h7-12H,2-6,13-16H2,1H3,(H,22,27).
What are the key properties of 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide?
1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55381555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).