4-anilino-2-benzylsulfanylpyridine-3-carbonitrile

C19H15N3S — CID 788175

IUPAC4-anilino-2-benzylsulfanylpyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)ccnc1SCc1ccccc1
InChIInChI=1S/C19H15N3S/c20-13-17-18(22-16-9-5-2-6-10-16)11-12-21-19(17)23-14-15-7-3-1-4-8-15/h1-12H,14H2,(H,21,22)
InChIKeyAILCYUUHYILRKW-UHFFFAOYSA-N
MW317.42 g/mol
LogP4.99
Rot. Bonds5

About 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile

4-anilino-2-benzylsulfanylpyridine-3-carbonitrile (PubChem CID 788175) has the molecular formula C19H15N3S and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-2-benzylsulfanylpyridine-3-carbonitrile
PubChem CID788175
Molecular FormulaC19H15N3S
Molecular Weight317.42 g/mol
Exact Mass317.10
IUPAC Name4-anilino-2-benzylsulfanylpyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)ccnc1SCc1ccccc1
InChIInChI=1S/C19H15N3S/c20-13-17-18(22-16-9-5-2-6-10-16)11-12-21-19(17)23-14-15-7-3-1-4-8-15/h1-12H,14H2,(H,21,22)
InChIKeyAILCYUUHYILRKW-UHFFFAOYSA-N
XLogP4.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile 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-anilino-2-benzylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile (CID 788175) is 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile is N#Cc1c(Nc2ccccc2)ccnc1SCc1ccccc1.
What is the InChIKey of 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile?
The InChIKey is AILCYUUHYILRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S/c20-13-17-18(22-16-9-5-2-6-10-16)11-12-21-19(17)23-14-15-7-3-1-4-8-15/h1-12H,14H2,(H,21,22).
What are the key properties of 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile?
4-anilino-2-benzylsulfanylpyridine-3-carbonitrile has a molecular weight of 317.42 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-benzylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 788175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).