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

C19H23N3O — CID 168584897

IUPAC4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCCCN(C)Cc1cccc(-c2cc(C)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C19H23N3O/c1-4-5-9-22(3)13-15-7-6-8-16(11-15)17-10-14(2)21-19(23)18(17)12-20/h6-8,10-11H,4-5,9,13H2,1-3H3,(H,21,23)
InChIKeyVEHDZWYZFBVJJC-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.45
Rot. Bonds6

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

4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584897) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584897
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCCCN(C)Cc1cccc(-c2cc(C)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C19H23N3O/c1-4-5-9-22(3)13-15-7-6-8-16(11-15)17-10-14(2)21-19(23)18(17)12-20/h6-8,10-11H,4-5,9,13H2,1-3H3,(H,21,23)
InChIKeyVEHDZWYZFBVJJC-UHFFFAOYSA-N
XLogP3.45
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584897) is 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCCCN(C)Cc1cccc(-c2cc(C)[nH]c(=O)c2C#N)c1.
What is the InChIKey of 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is VEHDZWYZFBVJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-5-9-22(3)13-15-7-6-8-16(11-15)17-10-14(2)21-19(23)18(17)12-20/h6-8,10-11H,4-5,9,13H2,1-3H3,(H,21,23).
What are the key properties of 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 309.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[butyl(methyl)amino]methyl]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).