3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide

C21H23N5O3S — CID 110249975

IUPAC3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c1
InChIInChI=1S/C21H23N5O3S/c1-25-13-20(23-14-25)30(28,29)26-10-4-7-17(12-26)19-9-3-8-18(24-19)15-5-2-6-16(11-15)21(22)27/h2-3,5-6,8-9,11,13-14,17H,4,7,10,12H2,1H3,(H2,22,27)
InChIKeyOCLFGNNMINUIJB-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.15
Rot. Bonds5

About 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide

3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide (PubChem CID 110249975) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
PubChem CID110249975
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
SMILESCn1cnc(S(=O)(=O)N2CCCC(c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c1
InChIInChI=1S/C21H23N5O3S/c1-25-13-20(23-14-25)30(28,29)26-10-4-7-17(12-26)19-9-3-8-18(24-19)15-5-2-6-16(11-15)21(22)27/h2-3,5-6,8-9,11,13-14,17H,4,7,10,12H2,1H3,(H2,22,27)
InChIKeyOCLFGNNMINUIJB-UHFFFAOYSA-N
XLogP2.15
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810668
3-[6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 95809420
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555
2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810657
[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95817675
3-[6-[(3S)-1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 95810732
6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254342
3-[6-[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 95809940
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50794707

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide (CID 110249975) is 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide is Cn1cnc(S(=O)(=O)N2CCCC(c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c1.
What is the InChIKey of 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is OCLFGNNMINUIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-25-13-20(23-14-25)30(28,29)26-10-4-7-17(12-26)19-9-3-8-18(24-19)15-5-2-6-16(11-15)21(22)27/h2-3,5-6,8-9,11,13-14,17H,4,7,10,12H2,1H3,(H2,22,27).
What are the key properties of 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide?
3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 425.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 110249975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).