4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide

C14H15N3OS — CID 61370610

IUPAC4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Sc2ccc(N)cc2)ccn1
InChIInChI=1S/C14H15N3OS/c1-17(2)14(18)13-9-12(7-8-16-13)19-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3
InChIKeyOBNKLSIEVXLDCG-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.52
Rot. Bonds3

About 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide

4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide (PubChem CID 61370610) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide
PubChem CID61370610
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Sc2ccc(N)cc2)ccn1
InChIInChI=1S/C14H15N3OS/c1-17(2)14(18)13-9-12(7-8-16-13)19-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3
InChIKeyOBNKLSIEVXLDCG-UHFFFAOYSA-N
XLogP2.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide (CID 61370610) is 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(Sc2ccc(N)cc2)ccn1.
What is the InChIKey of 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is OBNKLSIEVXLDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-17(2)14(18)13-9-12(7-8-16-13)19-11-5-3-10(15)4-6-11/h3-9H,15H2,1-2H3.
What are the key properties of 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide?
4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanyl-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 61370610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).