2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C17H15ClN4O — CID 169394090

IUPAC2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)(C)c1ccc(Cl)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C17H15ClN4O/c1-17(2,3)9-4-5-13(18)10(6-9)14-11(7-19)15(21)22-16(23)12(14)8-20/h4-6H,1-3H3,(H3,21,22,23)
InChIKeyRGXNDIVHMMILFN-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.32
Rot. Bonds1

About 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394090) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394090
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC(C)(C)c1ccc(Cl)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C17H15ClN4O/c1-17(2,3)9-4-5-13(18)10(6-9)14-11(7-19)15(21)22-16(23)12(14)8-20/h4-6H,1-3H3,(H3,21,22,23)
InChIKeyRGXNDIVHMMILFN-UHFFFAOYSA-N
XLogP3.32
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394090) is 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is CC(C)(C)c1ccc(Cl)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1.
What is the InChIKey of 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is RGXNDIVHMMILFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-17(2,3)9-4-5-13(18)10(6-9)14-11(7-19)15(21)22-16(23)12(14)8-20/h4-6H,1-3H3,(H3,21,22,23).
What are the key properties of 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 326.79 g/mol, XLogP of 3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).