2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile

C21H16N4O2 — CID 3554219

IUPAC2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc(C#N)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C21H16N4O2/c1-26-15-7-8-20(27-2)17(9-15)19-10-16(18(12-23)21(24)25-19)14-5-3-13(11-22)4-6-14/h3-10H,1-2H3,(H2,24,25)
InChIKeyUOQOPVDNYQPGBU-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.76
Rot. Bonds4

About 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile

2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 3554219) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID3554219
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3ccc(C#N)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C21H16N4O2/c1-26-15-7-8-20(27-2)17(9-15)19-10-16(18(12-23)21(24)25-19)14-5-3-13(11-22)4-6-14/h3-10H,1-2H3,(H2,24,25)
InChIKeyUOQOPVDNYQPGBU-UHFFFAOYSA-N
XLogP3.76
TPSA104.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
CID 3548331
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3557233
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(2,5-dimethoxyphenyl)-6-(4-propylphenyl)pyridine-3-carbonitrile
CID 5088045
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 136691533
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 17384299

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile (CID 3554219) is 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(OC)c(-c2cc(-c3ccc(C#N)cc3)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is UOQOPVDNYQPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-26-15-7-8-20(27-2)17(9-15)19-10-16(18(12-23)21(24)25-19)14-5-3-13(11-22)4-6-14/h3-10H,1-2H3,(H2,24,25).
What are the key properties of 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 356.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3554219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).