N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide

C12H18N2O2S — CID 43395189

IUPACN,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(SCCO)ccn1
InChIInChI=1S/C12H18N2O2S/c1-3-14(4-2)12(16)11-9-10(5-6-13-11)17-8-7-15/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyGCAAQXVWLLEKLL-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.65
Rot. Bonds6

About N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide

N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide (PubChem CID 43395189) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
PubChem CID43395189
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(SCCO)ccn1
InChIInChI=1S/C12H18N2O2S/c1-3-14(4-2)12(16)11-9-10(5-6-13-11)17-8-7-15/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyGCAAQXVWLLEKLL-UHFFFAOYSA-N
XLogP1.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
CID 43517675
N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide
CID 104590893
4-(3-methylbut-3-enylsulfanyl)pyridine-2-carboxylic acid
CID 114471358
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 61176970
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
N-ethyl-N-(2-methoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62176077
4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-[(1-methylcyclopropyl)amino]pyridine-2-carboxamide
CID 113485597

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide (CID 43395189) is N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(SCCO)ccn1.
What is the InChIKey of N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide?
The InChIKey is GCAAQXVWLLEKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-14(4-2)12(16)11-9-10(5-6-13-11)17-8-7-15/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide?
N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide is sourced from PubChem (CID 43395189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).