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

C25H26BrN3O — CID 3343274

IUPAC2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCCCCCOc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C25H26BrN3O/c1-3-4-5-6-15-30-21-13-9-18(10-14-21)23-17(2)24(29-25(28)22(23)16-27)19-7-11-20(26)12-8-19/h7-14H,3-6,15H2,1-2H3,(H2,28,29)
InChIKeyRTYYRTHSMPQRLH-UHFFFAOYSA-N
MW464.41 g/mol
LogP6.90
Rot. Bonds8

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

2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 3343274) has the molecular formula C25H26BrN3O and a molecular weight of 464.41 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile
PubChem CID3343274
Molecular FormulaC25H26BrN3O
Molecular Weight464.41 g/mol
Exact Mass463.13
IUPAC Name2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile
SMILESCCCCCCOc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C25H26BrN3O/c1-3-4-5-6-15-30-21-13-9-18(10-14-21)23-17(2)24(29-25(28)22(23)16-27)19-7-11-20(26)12-8-19/h7-14H,3-6,15H2,1-2H3,(H2,28,29)
InChIKeyRTYYRTHSMPQRLH-UHFFFAOYSA-N
XLogP6.90
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.41
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3341395
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
2,4-diamino-6-(4-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169396287
methyl 4-[2-amino-6-(4-bromophenyl)-3-cyano-5-methyl-4-pyridinyl]benzoate
CID 3345016
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
2-amino-4-(4-heptoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277776
2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 5241329
2-amino-4-(5-bromo-2-ethoxyphenyl)-6-(4-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317609
2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230485
2-amino-6-(4-chlorophenyl)-5-methyl-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3313314
5,8-dibromo-2,3-bis(4-hexoxyphenyl)quinoxaline
CID 59718125

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile (CID 3343274) is 2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile is CCCCCCOc1ccc(-c2c(C)c(-c3ccc(Br)cc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is RTYYRTHSMPQRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrN3O/c1-3-4-5-6-15-30-21-13-9-18(10-14-21)23-17(2)24(29-25(28)22(23)16-27)19-7-11-20(26)12-8-19/h7-14H,3-6,15H2,1-2H3,(H2,28,29).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(4-hexoxyphenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 464.41 g/mol, XLogP of 6.90, 8 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-hexoxyphenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3343274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).