2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile

C15H12ClN5S — CID 56878212

IUPAC2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile
SMILESCc1ncc(-c2c(C)c(-c3ccc(Cl)s3)nc(N)c2C#N)[nH]1
InChIInChI=1S/C15H12ClN5S/c1-7-13(10-6-19-8(2)20-10)9(5-17)15(18)21-14(7)11-3-4-12(16)22-11/h3-4,6H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyDDYOOGAHNSHTEQ-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.92
Rot. Bonds2

About 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile

2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile (PubChem CID 56878212) has the molecular formula C15H12ClN5S and a molecular weight of 329.82 g/mol. Its IUPAC name is 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile
PubChem CID56878212
Molecular FormulaC15H12ClN5S
Molecular Weight329.82 g/mol
Exact Mass329.05
IUPAC Name2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile
SMILESCc1ncc(-c2c(C)c(-c3ccc(Cl)s3)nc(N)c2C#N)[nH]1
InChIInChI=1S/C15H12ClN5S/c1-7-13(10-6-19-8(2)20-10)9(5-17)15(18)21-14(7)11-3-4-12(16)22-11/h3-4,6H,1-2H3,(H2,18,21)(H,19,20)
InChIKeyDDYOOGAHNSHTEQ-UHFFFAOYSA-N
XLogP3.92
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile (CID 56878212) is 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile is Cc1ncc(-c2c(C)c(-c3ccc(Cl)s3)nc(N)c2C#N)[nH]1.
What is the InChIKey of 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is DDYOOGAHNSHTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5S/c1-7-13(10-6-19-8(2)20-10)9(5-17)15(18)21-14(7)11-3-4-12(16)22-11/h3-4,6H,1-2H3,(H2,18,21)(H,19,20).
What are the key properties of 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile?
2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 329.82 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-chlorothiophen-2-yl)-5-methyl-4-(2-methyl-1H-imidazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56878212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).