2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile

C18H14N4O2 — CID 177295527

IUPAC2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(O)c(O)c2)cc(-c2ccc(N)cc2)nc1N
InChIInChI=1S/C18H14N4O2/c19-9-14-13(11-3-6-16(23)17(24)7-11)8-15(22-18(14)21)10-1-4-12(20)5-2-10/h1-8,23-24H,20H2,(H2,21,22)
InChIKeyLJCTWPCRPDZTBA-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.86
Rot. Bonds2

About 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile

2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 177295527) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile
PubChem CID177295527
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(O)c(O)c2)cc(-c2ccc(N)cc2)nc1N
InChIInChI=1S/C18H14N4O2/c19-9-14-13(11-3-6-16(23)17(24)7-11)8-15(22-18(14)21)10-1-4-12(20)5-2-10/h1-8,23-24H,20H2,(H2,21,22)
InChIKeyLJCTWPCRPDZTBA-UHFFFAOYSA-N
XLogP2.86
TPSA129.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3,4-dihydroxyphenyl)-6-(4-imidazol-1-ylphenyl)pyridine-3-carbonitrile
CID 177295555
2-amino-4-(3,4-dimethoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
CID 856280
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-(4-fluorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636653
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 135990769
2-amino-6-(2-fluorophenyl)-4-(3-hydroxy-4-phenoxyphenyl)pyridine-3-carbonitrile
CID 134824342
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
2-amino-4-(2-fluorophenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3355373
2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3366666
2-amino-4-(1,3-benzodioxol-5-yl)-6-(4-cyanophenyl)pyridine-3-carbonitrile
CID 5120562

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile (CID 177295527) is 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(O)c(O)c2)cc(-c2ccc(N)cc2)nc1N.
What is the InChIKey of 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is LJCTWPCRPDZTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-9-14-13(11-3-6-16(23)17(24)7-11)8-15(22-18(14)21)10-1-4-12(20)5-2-10/h1-8,23-24H,20H2,(H2,21,22).
What are the key properties of 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 318.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-aminophenyl)-4-(3,4-dihydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 177295527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).