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

C20H17N3O3 — CID 136691533

IUPAC2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-18-8-5-13(9-19(18)26-2)17-10-15(16(11-21)20(22)23-17)12-3-6-14(24)7-4-12/h3-10,24H,1-2H3,(H2,22,23)
InChIKeyCPKVXKHDOWPVPD-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds4

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

2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 136691533) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
PubChem CID136691533
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)cc1OC
InChIInChI=1S/C20H17N3O3/c1-25-18-8-5-13(9-19(18)26-2)17-10-15(16(11-21)20(22)23-17)12-3-6-14(24)7-4-12/h3-10,24H,1-2H3,(H2,22,23)
InChIKeyCPKVXKHDOWPVPD-UHFFFAOYSA-N
XLogP3.59
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2-amino-4-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 856329
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 135990769
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
2-amino-6-(4-bromophenyl)-4-(4-ethoxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 3395714
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile (CID 136691533) is 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)cc1OC.
What is the InChIKey of 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is CPKVXKHDOWPVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-18-8-5-13(9-19(18)26-2)17-10-15(16(11-21)20(22)23-17)12-3-6-14(24)7-4-12/h3-10,24H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 347.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3,4-dimethoxyphenyl)-4-(4-hydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 136691533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).