6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile

C22H21N3O2 — CID 10926462

IUPAC6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(=O)n(C)c2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3
InChIKeyXBMDFRQPTGJXHL-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.67
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile

6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 10926462) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID10926462
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C#N)c(=O)n(C)c2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3
InChIKeyXBMDFRQPTGJXHL-UHFFFAOYSA-N
XLogP3.67
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 10926462) is 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(-c2cc(C#N)c(=O)n(C)c2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is XBMDFRQPTGJXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-24(2)18-9-5-16(6-10-18)21-20(13-17(14-23)22(26)25(21)3)15-7-11-19(27-4)12-8-15/h5-13H,1-4H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 359.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 10926462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).