4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C17H16N4O — CID 168585235

IUPAC4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(N(C)CCC#N)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C17H16N4O/c1-12-10-15(16(11-19)17(22)20-12)13-4-6-14(7-5-13)21(2)9-3-8-18/h4-7,10H,3,9H2,1-2H3,(H,20,22)
InChIKeyMWPSKTJWYSQIGD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.57
Rot. Bonds4

About 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585235) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585235
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(N(C)CCC#N)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C17H16N4O/c1-12-10-15(16(11-19)17(22)20-12)13-4-6-14(7-5-13)21(2)9-3-8-18/h4-7,10H,3,9H2,1-2H3,(H,20,22)
InChIKeyMWPSKTJWYSQIGD-UHFFFAOYSA-N
XLogP2.57
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168585235) is 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(N(C)CCC#N)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MWPSKTJWYSQIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-10-15(16(11-19)17(22)20-12)13-4-6-14(7-5-13)21(2)9-3-8-18/h4-7,10H,3,9H2,1-2H3,(H,20,22).
What are the key properties of 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-cyanoethyl(methyl)amino]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).