1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide

C18H22N4O3S — CID 121118685

IUPAC1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)nn1
InChIInChI=1S/C18H22N4O3S/c1-13-5-10-17(21-20-13)22-11-3-4-14(12-22)18(23)19-15-6-8-16(9-7-15)26(2,24)25/h5-10,14H,3-4,11-12H2,1-2H3,(H,19,23)
InChIKeyAVAPXPDPDDVHBO-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.04
Rot. Bonds4

About 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide

1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide (PubChem CID 121118685) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
PubChem CID121118685
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)nn1
InChIInChI=1S/C18H22N4O3S/c1-13-5-10-17(21-20-13)22-11-3-4-14(12-22)18(23)19-15-6-8-16(9-7-15)26(2,24)25/h5-10,14H,3-4,11-12H2,1-2H3,(H,19,23)
InChIKeyAVAPXPDPDDVHBO-UHFFFAOYSA-N
XLogP2.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide (CID 121118685) is 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)Nc3ccc(S(C)(=O)=O)cc3)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The InChIKey is AVAPXPDPDDVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-5-10-17(21-20-13)22-11-3-4-14(12-22)18(23)19-15-6-8-16(9-7-15)26(2,24)25/h5-10,14H,3-4,11-12H2,1-2H3,(H,19,23).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 121118685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).