2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile

C19H17N3S — CID 3517163

IUPAC2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccc(C)s3)c(C#N)c(N)n2)c1
InChIInChI=1S/C19H17N3S/c1-11-4-5-12(2)14(8-11)17-9-15(16(10-20)19(21)22-17)18-7-6-13(3)23-18/h4-9H,1-3H3,(H2,21,22)
InChIKeyBTCQLSGUOLGSTB-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.86
Rot. Bonds2

About 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile

2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile (PubChem CID 3517163) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
PubChem CID3517163
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccc(C)s3)c(C#N)c(N)n2)c1
InChIInChI=1S/C19H17N3S/c1-11-4-5-12(2)14(8-11)17-9-15(16(10-20)19(21)22-17)18-7-6-13(3)23-18/h4-9H,1-3H3,(H2,21,22)
InChIKeyBTCQLSGUOLGSTB-UHFFFAOYSA-N
XLogP4.86
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
CID 3513608
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050
2-amino-6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3505771
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
2-amino-6-(2,5-dimethylphenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3517156
2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230853
2-amino-4-(2,5-dimethylphenyl)-6-(3-fluorophenyl)pyridine-3-carbonitrile
CID 5118538
2-amino-4-(5-bromothiophen-2-yl)-6-(2-fluorophenyl)pyridine-3-carbonitrile
CID 5119571
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 3480329
2-amino-4-(5-methylthiophen-2-yl)thiophene-3-carbonitrile
CID 71565212
4-(2,5-dimethylphenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894862

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile (CID 3517163) is 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile is Cc1ccc(C)c(-c2cc(-c3ccc(C)s3)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile?
The InChIKey is BTCQLSGUOLGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-11-4-5-12(2)14(8-11)17-9-15(16(10-20)19(21)22-17)18-7-6-13(3)23-18/h4-9H,1-3H3,(H2,21,22).
What are the key properties of 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile?
2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile has a molecular weight of 319.43 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dimethylphenyl)-4-(5-methylthiophen-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 3517163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).