N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide

C18H27N3O3S — CID 136544144

IUPACN-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCC1CCCN(c2cc(C(=O)NS(=O)(=O)C3CCCCC3)ccn2)C1
InChIInChI=1S/C18H27N3O3S/c1-14-6-5-11-21(13-14)17-12-15(9-10-19-17)18(22)20-25(23,24)16-7-3-2-4-8-16/h9-10,12,14,16H,2-8,11,13H2,1H3,(H,20,22)
InChIKeyYQMRNQQOKUJVGD-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.71
Rot. Bonds4

About N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide

N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 136544144) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
PubChem CID136544144
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCC1CCCN(c2cc(C(=O)NS(=O)(=O)C3CCCCC3)ccn2)C1
InChIInChI=1S/C18H27N3O3S/c1-14-6-5-11-21(13-14)17-12-15(9-10-19-17)18(22)20-25(23,24)16-7-3-2-4-8-16/h9-10,12,14,16H,2-8,11,13H2,1H3,(H,20,22)
InChIKeyYQMRNQQOKUJVGD-UHFFFAOYSA-N
XLogP2.71
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109175803
N-(2,5-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175778
2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide
CID 166256636
2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 122149926
N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040
methyl 2-(3,4-dimethylpiperazin-1-yl)pyridine-4-carboxylate
CID 114075028
3-chloro-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]benzamide
CID 113045045
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide (CID 136544144) is N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide is CC1CCCN(c2cc(C(=O)NS(=O)(=O)C3CCCCC3)ccn2)C1.
What is the InChIKey of N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is YQMRNQQOKUJVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-6-5-11-21(13-14)17-12-15(9-10-19-17)18(22)20-25(23,24)16-7-3-2-4-8-16/h9-10,12,14,16H,2-8,11,13H2,1H3,(H,20,22).
What are the key properties of N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide?
N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfonyl-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 136544144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).