2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile

C22H21N3 — CID 3350002

IUPAC2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1
InChIInChI=1S/C22H21N3/c1-22(2,3)17-11-9-15(10-12-17)18-13-20(16-7-5-4-6-8-16)25-21(24)19(18)14-23/h4-13H,1-3H3,(H2,24,25)
InChIKeyAHJQGIXNDORHTC-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.17
Rot. Bonds2

About 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile

2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile (PubChem CID 3350002) has the molecular formula C22H21N3 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
PubChem CID3350002
Molecular FormulaC22H21N3
Molecular Weight327.43 g/mol
Exact Mass327.17
IUPAC Name2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1
InChIInChI=1S/C22H21N3/c1-22(2,3)17-11-9-15(10-12-17)18-13-20(16-7-5-4-6-8-16)25-21(24)19(18)14-23/h4-13H,1-3H3,(H2,24,25)
InChIKeyAHJQGIXNDORHTC-UHFFFAOYSA-N
XLogP5.17
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenyl)-6-[4-[4-(4-tert-butylphenyl)-5-cyano-6-phenyl-2-pyridinyl]phenyl]-2-phenylpyridine-3-carbonitrile
CID 66676027
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292
2-amino-4-[4-(diethylamino)phenyl]-6-phenylpyridine-3-carbonitrile
CID 3360463
N-[4-(2-amino-3-cyano-6-phenyl-4-pyridinyl)phenyl]acetamide
CID 3351971
N-[4-(6-amino-5-cyano-4-phenyl-2-pyridinyl)phenyl]acetamide
CID 856313
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile (CID 3350002) is 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile is CC(C)(C)c1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is AHJQGIXNDORHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3/c1-22(2,3)17-11-9-15(10-12-17)18-13-20(16-7-5-4-6-8-16)25-21(24)19(18)14-23/h4-13H,1-3H3,(H2,24,25).
What are the key properties of 2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile?
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 5.17, 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-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 3350002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).