2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide

C12H19N3OS — CID 46397295

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)CCSc1ncccc1C(=O)N(C)C
InChIInChI=1S/C12H19N3OS/c1-14(2)8-9-17-11-10(6-5-7-13-11)12(16)15(3)4/h5-7H,8-9H2,1-4H3
InChIKeyYUAOPFYADDLNLV-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.44
Rot. Bonds5

About 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide

2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 46397295) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID46397295
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)CCSc1ncccc1C(=O)N(C)C
InChIInChI=1S/C12H19N3OS/c1-14(2)8-9-17-11-10(6-5-7-13-11)12(16)15(3)4/h5-7H,8-9H2,1-4H3
InChIKeyYUAOPFYADDLNLV-UHFFFAOYSA-N
XLogP1.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
2-[ethyl(phenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 941901
N,N-Dimethylnicotinamide
CID 81444
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenylthio)pyridin-3-yl)methanone
CID 24771013
(4-Cyclobutyl-1,4-diazepan-1-yl)(6-(phenylthio)pyridin-3-yl)methanone
CID 24771071
2-[4-methyl(propyl)anilino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 2800769
2-(Benzylsulfanyl)nicotinaldehyde
CID 4531915
N-cyclohexyl-2-propylsulfanylpyridine-3-carboxamide
CID 15016062
N-methyl-N-(oxan-4-yl)-2-propylsulfanylpyridine-3-carboxamide
CID 60165655
(4-Propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 719649

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide (CID 46397295) is 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide is CN(C)CCSc1ncccc1C(=O)N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is YUAOPFYADDLNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-14(2)8-9-17-11-10(6-5-7-13-11)12(16)15(3)4/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide?
2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 46397295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).