4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile

C15H15N3O — CID 54062320

IUPAC4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCN(C)C(c1ccccc1)c1cc[nH]c(=O)c1C#N
InChIInChI=1S/C15H15N3O/c1-18(2)14(11-6-4-3-5-7-11)12-8-9-17-15(19)13(12)10-16/h3-9,14H,1-2H3,(H,17,19)
InChIKeyMAPBUYFZQTXQSQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.90
Rot. Bonds3

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

4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 54062320) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID54062320
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCN(C)C(c1ccccc1)c1cc[nH]c(=O)c1C#N
InChIInChI=1S/C15H15N3O/c1-18(2)14(11-6-4-3-5-7-11)12-8-9-17-15(19)13(12)10-16/h3-9,14H,1-2H3,(H,17,19)
InChIKeyMAPBUYFZQTXQSQ-UHFFFAOYSA-N
XLogP1.90
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 54062320) is 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile is CN(C)C(c1ccccc1)c1cc[nH]c(=O)c1C#N.
What is the InChIKey of 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MAPBUYFZQTXQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18(2)14(11-6-4-3-5-7-11)12-8-9-17-15(19)13(12)10-16/h3-9,14H,1-2H3,(H,17,19).
What are the key properties of 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylamino(phenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 54062320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).