N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide

C16H18N2O2S — CID 104590893

IUPACN,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Sc2cccc(O)c2)ccn1
InChIInChI=1S/C16H18N2O2S/c1-3-18(4-2)16(20)15-11-14(8-9-17-15)21-13-7-5-6-12(19)10-13/h5-11,19H,3-4H2,1-2H3
InChIKeyCSVWLNGJWCRKIR-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.42
Rot. Bonds5

About N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide

N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide (PubChem CID 104590893) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide
PubChem CID104590893
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Sc2cccc(O)c2)ccn1
InChIInChI=1S/C16H18N2O2S/c1-3-18(4-2)16(20)15-11-14(8-9-17-15)21-13-7-5-6-12(19)10-13/h5-11,19H,3-4H2,1-2H3
InChIKeyCSVWLNGJWCRKIR-UHFFFAOYSA-N
XLogP3.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4-(3-hydroxyphenoxy)pyridine-2-carboxamide
CID 60871058
N,N-diethyl-4-(2-hydroxyethylsulfanyl)pyridine-2-carboxamide
CID 43395189
4-N-(2,6-difluorophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109089015
4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
4-(1-aminopropan-2-ylamino)-N,N-diethylpyridine-2-carboxamide
CID 55228575
4-(3-amino-1,2,4-triazol-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 61176970
N,N-diethyl-5-hydroxypyridine-2-carboxamide
CID 67234300
4-(N-benzylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216457
N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389
N-ethyl-4-(2-hydroxyphenyl)sulfanylpyridine-2-carboxamide
CID 62028015

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide (CID 104590893) is N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(Sc2cccc(O)c2)ccn1.
What is the InChIKey of N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide?
The InChIKey is CSVWLNGJWCRKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-3-18(4-2)16(20)15-11-14(8-9-17-15)21-13-7-5-6-12(19)10-13/h5-11,19H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide?
N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-hydroxyphenyl)sulfanylpyridine-2-carboxamide is sourced from PubChem (CID 104590893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).