N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C16H25N3O3S — CID 46407164

IUPACN-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-3-5-13(2)18-16(20)14-7-10-19(11-8-14)23(21,22)15-6-4-9-17-12-15/h4,6,9,12-14H,3,5,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyJGKZOTWRQGLHTM-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.79
Rot. Bonds6

About N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 46407164) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID46407164
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C16H25N3O3S/c1-3-5-13(2)18-16(20)14-7-10-19(11-8-14)23(21,22)15-6-4-9-17-12-15/h4,6,9,12-14H,3,5,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyJGKZOTWRQGLHTM-UHFFFAOYSA-N
XLogP1.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 98954697
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 129377016
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
1-(4-ethoxyphenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 18082324
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 51939861

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 46407164) is N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is CCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JGKZOTWRQGLHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-5-13(2)18-16(20)14-7-10-19(11-8-14)23(21,22)15-6-4-9-17-12-15/h4,6,9,12-14H,3,5,7-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46407164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).