2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile

C16H14N4O — CID 3994419

IUPAC2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(C)c(=O)c2C#N)c(C)c1
InChIInChI=1S/C16H14N4O/c1-9-4-5-11(10(2)6-9)14-12(7-17)15(19)20(3)16(21)13(14)8-18/h4-6H,19H2,1-3H3
InChIKeyRCMWHJFURDKSRD-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.99
Rot. Bonds1

About 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile

2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 3994419) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile
PubChem CID3994419
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-c2c(C#N)c(N)n(C)c(=O)c2C#N)c(C)c1
InChIInChI=1S/C16H14N4O/c1-9-4-5-11(10(2)6-9)14-12(7-17)15(19)20(3)16(21)13(14)8-18/h4-6H,19H2,1-3H3
InChIKeyRCMWHJFURDKSRD-UHFFFAOYSA-N
XLogP1.99
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile (CID 3994419) is 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile is Cc1ccc(-c2c(C#N)c(N)n(C)c(=O)c2C#N)c(C)c1.
What is the InChIKey of 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is RCMWHJFURDKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-9-4-5-11(10(2)6-9)14-12(7-17)15(19)20(3)16(21)13(14)8-18/h4-6H,19H2,1-3H3.
What are the key properties of 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile?
2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 278.31 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dimethylphenyl)-1-methyl-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3994419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).