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

C21H18BrN3O — CID 3341395

IUPAC2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCOc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C21H18BrN3O/c1-3-26-17-10-6-14(7-11-17)19-13(2)20(25-21(24)18(19)12-23)15-4-8-16(22)9-5-15/h4-11H,3H2,1-2H3,(H2,24,25)
InChIKeyNHNWVVPQBBZRCJ-UHFFFAOYSA-N
MW408.30 g/mol
LogP5.34
Rot. Bonds4

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

2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3341395) has the molecular formula C21H18BrN3O and a molecular weight of 408.30 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3341395
Molecular FormulaC21H18BrN3O
Molecular Weight408.30 g/mol
Exact Mass407.06
IUPAC Name2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCOc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C21H18BrN3O/c1-3-26-17-10-6-14(7-11-17)19-13(2)20(25-21(24)18(19)12-23)15-4-8-16(22)9-5-15/h4-11H,3H2,1-2H3,(H2,24,25)
InChIKeyNHNWVVPQBBZRCJ-UHFFFAOYSA-N
XLogP5.34
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.30
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3343274
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609
methyl 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoate
CID 3345016
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314
2-amino-5-methyl-6-(4-methylphenyl)-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5172953
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5159861
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile (CID 3341395) is 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile is CCOc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is NHNWVVPQBBZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O/c1-3-26-17-10-6-14(7-11-17)19-13(2)20(25-21(24)18(19)12-23)15-4-8-16(22)9-5-15/h4-11H,3H2,1-2H3,(H2,24,25).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 408.30 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3341395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).