4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile

C17H16N2O2 — CID 661577

IUPAC4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-11-4-6-14(7-5-11)16(20)10-19-13(3)8-12(2)15(9-18)17(19)21/h4-8H,10H2,1-3H3
InChIKeyYMAVFYDYHUAGOS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.53
Rot. Bonds3

About 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile

4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile (PubChem CID 661577) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile
PubChem CID661577
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(C(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1
InChIInChI=1S/C17H16N2O2/c1-11-4-6-14(7-5-11)16(20)10-19-13(3)8-12(2)15(9-18)17(19)21/h4-8H,10H2,1-3H3
InChIKeyYMAVFYDYHUAGOS-UHFFFAOYSA-N
XLogP2.53
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile (CID 661577) is 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile is Cc1ccc(C(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1.
What is the InChIKey of 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is YMAVFYDYHUAGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-4-6-14(7-5-11)16(20)10-19-13(3)8-12(2)15(9-18)17(19)21/h4-8H,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile?
4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-(4-methylphenyl)-2-oxoethyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 661577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).