N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

C18H27N3O3S — CID 109193969

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCCC(C)C2)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H27N3O3S/c1-3-21(16-8-10-25(23,24)13-16)18(22)17-7-6-15(11-19-17)20-9-4-5-14(2)12-20/h6-7,11,14,16H,3-5,8-10,12-13H2,1-2H3
InChIKeyJSFXZNUWNODTIY-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.97
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109193969) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109193969
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCCC(C)C2)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H27N3O3S/c1-3-21(16-8-10-25(23,24)13-16)18(22)17-7-6-15(11-19-17)20-9-4-5-14(2)12-20/h6-7,11,14,16H,3-5,8-10,12-13H2,1-2H3
InChIKeyJSFXZNUWNODTIY-UHFFFAOYSA-N
XLogP1.97
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109205296
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152535
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 109189241
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenyltriazole-4-carboxamide
CID 110702370
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109310076
5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 109193990
6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109123689
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112956784
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082837
1-[4-[[(3R)-1,1-dioxothiolan-3-yl]-ethylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 125153525
2-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109331915

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109193969) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is CCN(C(=O)c1ccc(N2CCCC(C)C2)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is JSFXZNUWNODTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-3-21(16-8-10-25(23,24)13-16)18(22)17-7-6-15(11-19-17)20-9-4-5-14(2)12-20/h6-7,11,14,16H,3-5,8-10,12-13H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109193969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).