2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile

C20H18N4O2 — CID 648499

IUPAC2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1cc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)ccc1O
InChIInChI=1S/C20H18N4O2/c1-2-26-19-9-13(5-8-18(19)25)15-10-17(24-20(23)16(15)11-21)12-3-6-14(22)7-4-12/h3-10,25H,2,22H2,1H3,(H2,23,24)
InChIKeyIMNCAAKVONXCMJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.56
Rot. Bonds4

About 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile

2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 648499) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile
PubChem CID648499
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1cc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)ccc1O
InChIInChI=1S/C20H18N4O2/c1-2-26-19-9-13(5-8-18(19)25)15-10-17(24-20(23)16(15)11-21)12-3-6-14(22)7-4-12/h3-10,25H,2,22H2,1H3,(H2,23,24)
InChIKeyIMNCAAKVONXCMJ-UHFFFAOYSA-N
XLogP3.56
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile (CID 648499) is 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile is CCOc1cc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)ccc1O.
What is the InChIKey of 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is IMNCAAKVONXCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-26-19-9-13(5-8-18(19)25)15-10-17(24-20(23)16(15)11-21)12-3-6-14(22)7-4-12/h3-10,25H,2,22H2,1H3,(H2,23,24).
What are the key properties of 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-aminophenyl)-4-(3-ethoxy-4-hydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 648499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).