3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile

C14H14N4S — CID 622991

IUPAC3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile
SMILESCN(C)c1ccc(Sc2ccc(N)c(C#N)n2)cc1
InChIInChI=1S/C14H14N4S/c1-18(2)10-3-5-11(6-4-10)19-14-8-7-12(16)13(9-15)17-14/h3-8H,16H2,1-2H3
InChIKeyRWMRLYDKEXQCLE-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.75
Rot. Bonds3

About 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile

3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile (PubChem CID 622991) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile
PubChem CID622991
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile
SMILESCN(C)c1ccc(Sc2ccc(N)c(C#N)n2)cc1
InChIInChI=1S/C14H14N4S/c1-18(2)10-3-5-11(6-4-10)19-14-8-7-12(16)13(9-15)17-14/h3-8H,16H2,1-2H3
InChIKeyRWMRLYDKEXQCLE-UHFFFAOYSA-N
XLogP2.75
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile (CID 622991) is 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile is CN(C)c1ccc(Sc2ccc(N)c(C#N)n2)cc1.
What is the InChIKey of 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile?
The InChIKey is RWMRLYDKEXQCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-18(2)10-3-5-11(6-4-10)19-14-8-7-12(16)13(9-15)17-14/h3-8H,16H2,1-2H3.
What are the key properties of 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile?
3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(dimethylamino)phenyl]sulfanylpyridine-2-carbonitrile is sourced from PubChem (CID 622991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).