1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C17H25N3O2S — CID 51092311

IUPAC1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCSCCC(=O)N1CCCC(C(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C17H25N3O2S/c1-3-23-11-9-16(21)20-10-5-7-14(12-20)17(22)19-15-8-4-6-13(2)18-15/h4,6,8,14H,3,5,7,9-12H2,1-2H3,(H,18,19,22)
InChIKeyLMKKHNXTIMOMQV-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.71
Rot. Bonds6

About 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 51092311) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID51092311
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCSCCC(=O)N1CCCC(C(=O)Nc2cccc(C)n2)C1
InChIInChI=1S/C17H25N3O2S/c1-3-23-11-9-16(21)20-10-5-7-14(12-20)17(22)19-15-8-4-6-13(2)18-15/h4,6,8,14H,3,5,7,9-12H2,1-2H3,(H,18,19,22)
InChIKeyLMKKHNXTIMOMQV-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-(6-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24687433
N-(6-methylpyridin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4641020
N-(5-methyl-2-pyridinyl)-2-(2-pyridin-2-ylethylsulfanyl)acetamide
CID 9551178
2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)thio]-N-(6-methylpyridin-2-yl)acetamide
CID 16187881
Propanediamide, N,N'-bis(6-methyl-2-pyridinyl)-2-ethyl-
CID 3039136
1-benzyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 44412927
1-methyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 44413032
N-ethyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 51102591
N-cyclopropyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 51102592
N-(cyclopropylmethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 56822405
7-methyl-N-(6-methylpyridin-2-yl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802286
7-ethyl-8-methyl-N-(3-methylpyridin-2-yl)-6-oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 71802377

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 51092311) is 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is CCSCCC(=O)N1CCCC(C(=O)Nc2cccc(C)n2)C1.
What is the InChIKey of 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is LMKKHNXTIMOMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-3-23-11-9-16(21)20-10-5-7-14(12-20)17(22)19-15-8-4-6-13(2)18-15/h4,6,8,14H,3,5,7,9-12H2,1-2H3,(H,18,19,22).
What are the key properties of 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanylpropanoyl)-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 51092311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).