2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile

C23H21N5O — CID 54613355

IUPAC2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCCc1ccccc1-n1c(N)c(C#N)c(-c2ccc(N(C)C)cc2)c(C#N)c1=O
InChIInChI=1S/C23H21N5O/c1-4-15-7-5-6-8-20(15)28-22(26)18(13-24)21(19(14-25)23(28)29)16-9-11-17(12-10-16)27(2)3/h5-12H,4,26H2,1-3H3
InChIKeyCILNTUFBSTVLML-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.46
Rot. Bonds4

About 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile

2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 54613355) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID54613355
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCCc1ccccc1-n1c(N)c(C#N)c(-c2ccc(N(C)C)cc2)c(C#N)c1=O
InChIInChI=1S/C23H21N5O/c1-4-15-7-5-6-8-20(15)28-22(26)18(13-24)21(19(14-25)23(28)29)16-9-11-17(12-10-16)27(2)3/h5-12H,4,26H2,1-3H3
InChIKeyCILNTUFBSTVLML-UHFFFAOYSA-N
XLogP3.46
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile (CID 54613355) is 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile is CCc1ccccc1-n1c(N)c(C#N)c(-c2ccc(N(C)C)cc2)c(C#N)c1=O.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is CILNTUFBSTVLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-4-15-7-5-6-8-20(15)28-22(26)18(13-24)21(19(14-25)23(28)29)16-9-11-17(12-10-16)27(2)3/h5-12H,4,26H2,1-3H3.
What are the key properties of 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 383.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)phenyl]-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 54613355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).