2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

C27H23N3O3 — CID 4636477

IUPAC2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C27H23N3O3/c1-31-24-13-20(14-25(32-2)26(24)33-3)21-15-23(30-27(29)22(21)16-28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H2,29,30)
InChIKeyYQPBMTDAADLDMC-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.56
Rot. Bonds6

About 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 4636477) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID4636477
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C27H23N3O3/c1-31-24-13-20(14-25(32-2)26(24)33-3)21-15-23(30-27(29)22(21)16-28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H2,29,30)
InChIKeyYQPBMTDAADLDMC-UHFFFAOYSA-N
XLogP5.56
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-6-phenyl-4-(2,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3353886
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2-amino-6-(4-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3395715
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (CID 4636477) is 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)c2C#N)cc(OC)c1OC.
What is the InChIKey of 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is YQPBMTDAADLDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-31-24-13-20(14-25(32-2)26(24)33-3)21-15-23(30-27(29)22(21)16-28)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-15H,1-3H3,(H2,29,30).
What are the key properties of 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 437.50 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4636477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).