4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile

C23H24N4 — CID 15133245

IUPAC4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(N(C)C)cc2)cc(-c2ccc(N(C)C)cc2)c1C#N
InChIInChI=1S/C23H24N4/c1-16-22(15-24)21(17-6-10-19(11-7-17)26(2)3)14-23(25-16)18-8-12-20(13-9-18)27(4)5/h6-14H,1-5H3
InChIKeyMKOPTIRPYZECLB-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.73
Rot. Bonds4

About 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile

4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile (PubChem CID 15133245) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile
PubChem CID15133245
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(-c2ccc(N(C)C)cc2)cc(-c2ccc(N(C)C)cc2)c1C#N
InChIInChI=1S/C23H24N4/c1-16-22(15-24)21(17-6-10-19(11-7-17)26(2)3)14-23(25-16)18-8-12-20(13-9-18)27(4)5/h6-14H,1-5H3
InChIKeyMKOPTIRPYZECLB-UHFFFAOYSA-N
XLogP4.73
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile (CID 15133245) is 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile is Cc1nc(-c2ccc(N(C)C)cc2)cc(-c2ccc(N(C)C)cc2)c1C#N.
What is the InChIKey of 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile?
The InChIKey is MKOPTIRPYZECLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-16-22(15-24)21(17-6-10-19(11-7-17)26(2)3)14-23(25-16)18-8-12-20(13-9-18)27(4)5/h6-14H,1-5H3.
What are the key properties of 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile?
4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile has a molecular weight of 356.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 15133245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).