2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile

C20H13BrN4O — CID 71835247

IUPAC2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-n2c(N)c(C#N)c(-c3ccc(Br)cc3)c(C#N)c2=O)cc1
InChIInChI=1S/C20H13BrN4O/c1-12-2-8-15(9-3-12)25-19(24)16(10-22)18(17(11-23)20(25)26)13-4-6-14(21)7-5-13/h2-9H,24H2,1H3
InChIKeyCEPRZULGGMNDRU-UHFFFAOYSA-N
MW405.26 g/mol
LogP3.90
Rot. Bonds2

About 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile

2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile (PubChem CID 71835247) has the molecular formula C20H13BrN4O and a molecular weight of 405.26 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
PubChem CID71835247
Molecular FormulaC20H13BrN4O
Molecular Weight405.26 g/mol
Exact Mass404.03
IUPAC Name2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile
SMILESCc1ccc(-n2c(N)c(C#N)c(-c3ccc(Br)cc3)c(C#N)c2=O)cc1
InChIInChI=1S/C20H13BrN4O/c1-12-2-8-15(9-3-12)25-19(24)16(10-22)18(17(11-23)20(25)26)13-4-6-14(21)7-5-13/h2-9H,24H2,1H3
InChIKeyCEPRZULGGMNDRU-UHFFFAOYSA-N
XLogP3.90
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile (CID 71835247) is 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile is Cc1ccc(-n2c(N)c(C#N)c(-c3ccc(Br)cc3)c(C#N)c2=O)cc1.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
The InChIKey is CEPRZULGGMNDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN4O/c1-12-2-8-15(9-3-12)25-19(24)16(10-22)18(17(11-23)20(25)26)13-4-6-14(21)7-5-13/h2-9H,24H2,1H3.
What are the key properties of 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile?
2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile has a molecular weight of 405.26 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromophenyl)-1-(4-methylphenyl)-6-oxopyridine-3,5-dicarbonitrile is sourced from PubChem (CID 71835247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).