N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride

C13H21ClN4O3S — CID 119516492

IUPACN-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N)nc2)CC1.Cl
InChIInChI=1S/C13H20N4O3S.ClH/c1-2-21(19,20)17-7-5-10(6-8-17)13(18)16-11-3-4-12(14)15-9-11;/h3-4,9-10H,2,5-8H2,1H3,(H2,14,15)(H,16,18);1H
InChIKeyCLFBKQLYMISFBR-UHFFFAOYSA-N
MW348.86 g/mol
LogP1.09
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride

N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119516492) has the molecular formula C13H21ClN4O3S and a molecular weight of 348.86 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID119516492
Molecular FormulaC13H21ClN4O3S
Molecular Weight348.86 g/mol
Exact Mass348.10
IUPAC NameN-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N)nc2)CC1.Cl
InChIInChI=1S/C13H20N4O3S.ClH/c1-2-21(19,20)17-7-5-10(6-8-17)13(18)16-11-3-4-12(14)15-9-11;/h3-4,9-10H,2,5-8H2,1H3,(H2,14,15)(H,16,18);1H
InChIKeyCLFBKQLYMISFBR-UHFFFAOYSA-N
XLogP1.09
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119515348
N-(6-amino-3-pyridinyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119515400
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
N-(6-amino-3-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 81478295
N-(6-amino-3-pyridinyl)-1-benzoylpiperidine-4-carboxamide;hydrochloride
CID 119516000
N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 119514987
2-chloro-4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoic acid
CID 119164224
1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971103
N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 24529866
N-(6-amino-3-pyridinyl)-5-oxo-1-pentan-2-ylpyrrolidine-3-carboxamide
CID 119515944
N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119516216
N-(2,6-diethylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027123

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride (CID 119516492) is N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(N)nc2)CC1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is CLFBKQLYMISFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S.ClH/c1-2-21(19,20)17-7-5-10(6-8-17)13(18)16-11-3-4-12(14)15-9-11;/h3-4,9-10H,2,5-8H2,1H3,(H2,14,15)(H,16,18);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride?
N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 348.86 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119516492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).