2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile

C21H13N5O2 — CID 1488060

IUPAC2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
SMILESCOc1ccc(Oc2ccc(-c3nc(N)c(C#N)c(C#N)c3C#N)cc2)cc1
InChIInChI=1S/C21H13N5O2/c1-27-14-6-8-16(9-7-14)28-15-4-2-13(3-5-15)20-18(11-23)17(10-22)19(12-24)21(25)26-20/h2-9H,1H3,(H2,25,26)
InChIKeyQSTYDKIQNGVXBQ-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.75
Rot. Bonds4

About 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile

2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile (PubChem CID 1488060) has the molecular formula C21H13N5O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile.

Molecular Properties

Compound Name2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
PubChem CID1488060
Molecular FormulaC21H13N5O2
Molecular Weight367.37 g/mol
Exact Mass367.11
IUPAC Name2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
SMILESCOc1ccc(Oc2ccc(-c3nc(N)c(C#N)c(C#N)c3C#N)cc2)cc1
InChIInChI=1S/C21H13N5O2/c1-27-14-6-8-16(9-7-14)28-15-4-2-13(3-5-15)20-18(11-23)17(10-22)19(12-24)21(25)26-20/h2-9H,1H3,(H2,25,26)
InChIKeyQSTYDKIQNGVXBQ-UHFFFAOYSA-N
XLogP3.75
TPSA128.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
3-amino-1-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 23823826
2,4-diamino-6-[4-(4-tert-butylphenoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398347
2,4-diamino-6-[4-(4-ethylphenoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398736
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-4-(2,4-dichlorophenyl)-6-(4-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3308725
4-amino-2-methoxy-6-phenylpyrimidine-5-carbonitrile
CID 12862277
3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 83704376
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
4-amino-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 11572440
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile?
The IUPAC name of 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile (CID 1488060) is 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile.
What is the SMILES notation for 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile?
The canonical SMILES for 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile is COc1ccc(Oc2ccc(-c3nc(N)c(C#N)c(C#N)c3C#N)cc2)cc1.
What is the InChIKey of 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile?
The InChIKey is QSTYDKIQNGVXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O2/c1-27-14-6-8-16(9-7-14)28-15-4-2-13(3-5-15)20-18(11-23)17(10-22)19(12-24)21(25)26-20/h2-9H,1H3,(H2,25,26).
What are the key properties of 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile?
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile has a molecular weight of 367.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile is sourced from PubChem (CID 1488060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).