2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile

C20H18N4 — CID 3351838

IUPAC2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1
InChIInChI=1S/C20H18N4/c1-24(2)16-10-8-14(9-11-16)17-12-19(15-6-4-3-5-7-15)23-20(22)18(17)13-21/h3-12H,1-2H3,(H2,22,23)
InChIKeyMEWHRMNNCJSQBF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.94
Rot. Bonds3

About 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile

2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile (PubChem CID 3351838) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile
PubChem CID3351838
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1
InChIInChI=1S/C20H18N4/c1-24(2)16-10-8-14(9-11-16)17-12-19(15-6-4-3-5-7-15)23-20(22)18(17)13-21/h3-12H,1-2H3,(H2,22,23)
InChIKeyMEWHRMNNCJSQBF-UHFFFAOYSA-N
XLogP3.94
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile (CID 3351838) is 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile is CN(C)c1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile?
The InChIKey is MEWHRMNNCJSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-24(2)16-10-8-14(9-11-16)17-12-19(15-6-4-3-5-7-15)23-20(22)18(17)13-21/h3-12H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile?
2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)phenyl]-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 3351838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).