N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide

C16H26N4O3S — CID 55784405

IUPACN-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCCN2S(C)(=O)=O)cn1
InChIInChI=1S/C16H26N4O3S/c1-4-19(5-2)15-10-9-13(12-17-15)18-16(21)14-8-6-7-11-20(14)24(3,22)23/h9-10,12,14H,4-8,11H2,1-3H3,(H,18,21)
InChIKeyQQVKOBYBRNGXSH-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.68
Rot. Bonds6

About N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 55784405) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID55784405
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCCN2S(C)(=O)=O)cn1
InChIInChI=1S/C16H26N4O3S/c1-4-19(5-2)15-10-9-13(12-17-15)18-16(21)14-8-6-7-11-20(14)24(3,22)23/h9-10,12,14H,4-8,11H2,1-3H3,(H,18,21)
InChIKeyQQVKOBYBRNGXSH-UHFFFAOYSA-N
XLogP1.68
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
(2R)-N-(6-methoxy-3-pyridinyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39898332
N-[6-(diethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 43705952
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55564355
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 166215680
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
1-N-[6-(diethylamino)-3-pyridinyl]piperidine-1,4-dicarboxamide
CID 53499400
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
(2S)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94210182
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 24667604

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 55784405) is N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCCCN2S(C)(=O)=O)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is QQVKOBYBRNGXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-19(5-2)15-10-9-13(12-17-15)18-16(21)14-8-6-7-11-20(14)24(3,22)23/h9-10,12,14H,4-8,11H2,1-3H3,(H,18,21).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55784405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).