2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile

C17H16N4O3 — CID 58297348

IUPAC2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(OCC)nc(N)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C17H16N4O3/c1-3-23-17-15(20-2)14(13(10-18)16(19)21-17)11-4-6-12(7-5-11)24-9-8-22/h4-7,22H,3,8-9H2,1H3,(H2,19,21)
InChIKeyMYVJBRXLUSMEPB-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.52
Rot. Bonds6

About 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile

2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile (PubChem CID 58297348) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile
PubChem CID58297348
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(OCC)nc(N)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C17H16N4O3/c1-3-23-17-15(20-2)14(13(10-18)16(19)21-17)11-4-6-12(7-5-11)24-9-8-22/h4-7,22H,3,8-9H2,1H3,(H2,19,21)
InChIKeyMYVJBRXLUSMEPB-UHFFFAOYSA-N
XLogP2.52
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile (CID 58297348) is 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile is [C-]#[N+]c1c(OCC)nc(N)c(C#N)c1-c1ccc(OCCO)cc1.
What is the InChIKey of 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile?
The InChIKey is MYVJBRXLUSMEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-3-23-17-15(20-2)14(13(10-18)16(19)21-17)11-4-6-12(7-5-11)24-9-8-22/h4-7,22H,3,8-9H2,1H3,(H2,19,21).
What are the key properties of 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile?
2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile has a molecular weight of 324.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyanopyridine-3-carbonitrile is sourced from PubChem (CID 58297348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).