2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile

C21H18BrN3 — CID 3341400

IUPAC2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C21H18BrN3/c1-3-14-4-6-15(7-5-14)19-13(2)20(25-21(24)18(19)12-23)16-8-10-17(22)11-9-16/h4-11H,3H2,1-2H3,(H2,24,25)
InChIKeyZMQXPNDUYISRSI-UHFFFAOYSA-N
MW392.30 g/mol
LogP5.50
Rot. Bonds3

About 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3341400) has the molecular formula C21H18BrN3 and a molecular weight of 392.30 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3341400
Molecular FormulaC21H18BrN3
Molecular Weight392.30 g/mol
Exact Mass391.07
IUPAC Name2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C21H18BrN3/c1-3-14-4-6-15(7-5-14)19-13(2)20(25-21(24)18(19)12-23)16-8-10-17(22)11-9-16/h4-11H,3H2,1-2H3,(H2,24,25)
InChIKeyZMQXPNDUYISRSI-UHFFFAOYSA-N
XLogP5.50
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.30
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3341395
methyl 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoate
CID 3345016
2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3343274
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
2-chloro-6-(4-ethylphenyl)-4,5-dimethylpyridine-3-carbonitrile
CID 94280813
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609
2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953
2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5159861
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
methyl 4-[2-amino-6-(4-chlorophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoate
CID 3315540

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile (CID 3341400) is 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile is CCc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is ZMQXPNDUYISRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3/c1-3-14-4-6-15(7-5-14)19-13(2)20(25-21(24)18(19)12-23)16-8-10-17(22)11-9-16/h4-11H,3H2,1-2H3,(H2,24,25).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 392.30 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3341400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).