2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile

C15H15N3O — CID 144545519

IUPAC2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(-c2ccc(N(C)C)cc2)[nH]c1=O
InChIInChI=1S/C15H15N3O/c1-10-8-12(9-16)14(17-15(10)19)11-4-6-13(7-5-11)18(2)3/h4-8H,1-3H3,(H,17,19)
InChIKeyFEHSNXQDWSEUTG-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.29
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile

2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 144545519) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID144545519
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(-c2ccc(N(C)C)cc2)[nH]c1=O
InChIInChI=1S/C15H15N3O/c1-10-8-12(9-16)14(17-15(10)19)11-4-6-13(7-5-11)18(2)3/h4-8H,1-3H3,(H,17,19)
InChIKeyFEHSNXQDWSEUTG-UHFFFAOYSA-N
XLogP2.29
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile (CID 144545519) is 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1cc(C#N)c(-c2ccc(N(C)C)cc2)[nH]c1=O.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FEHSNXQDWSEUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-8-12(9-16)14(17-15(10)19)11-4-6-13(7-5-11)18(2)3/h4-8H,1-3H3,(H,17,19).
What are the key properties of 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile?
2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 253.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-5-methyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 144545519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).