2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile

C23H22FN3 — CID 5159861

IUPAC2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H22FN3/c1-14-20(15-5-9-17(10-6-15)23(2,3)4)19(13-25)22(26)27-21(14)16-7-11-18(24)12-8-16/h5-12H,1-4H3,(H2,26,27)
InChIKeyTYHIBAFFNGGFAC-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.61
Rot. Bonds2

About 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile

2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile (PubChem CID 5159861) has the molecular formula C23H22FN3 and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
PubChem CID5159861
Molecular FormulaC23H22FN3
Molecular Weight359.45 g/mol
Exact Mass359.18
IUPAC Name2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H22FN3/c1-14-20(15-5-9-17(10-6-15)23(2,3)4)19(13-25)22(26)27-21(14)16-7-11-18(24)12-8-16/h5-12H,1-4H3,(H2,26,27)
InChIKeyTYHIBAFFNGGFAC-UHFFFAOYSA-N
XLogP5.61
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-4-(2,3-dichlorophenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 5166897
2-amino-6-(4-fluorophenyl)-5-methyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 5157022
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-6-(4-chlorophenyl)-4-(2,5-difluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3317750
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-(2-fluorophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172789
2-amino-6-(4-bromophenyl)-4-(4-chloro-3-fluorophenyl)-5-methylpyridine-3-carbonitrile
CID 3346636
2-amino-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile (CID 5159861) is 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile is Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
The InChIKey is TYHIBAFFNGGFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3/c1-14-20(15-5-9-17(10-6-15)23(2,3)4)19(13-25)22(26)27-21(14)16-7-11-18(24)12-8-16/h5-12H,1-4H3,(H2,26,27).
What are the key properties of 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile?
2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile has a molecular weight of 359.45 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-tert-butylphenyl)-6-(4-fluorophenyl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 5159861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).