6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile

C21H16N4O2 — CID 177102078

IUPAC6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(N)nc(OCCO)c(C#N)c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H16N4O2/c1-24-19-18(17(13-22)21(25-20(19)23)27-11-10-26)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-9,12,26H,10-11H2,(H2,23,25)
InChIKeyASHKSBRCZGBUOV-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.79
Rot. Bonds5

About 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile

6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile (PubChem CID 177102078) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile
PubChem CID177102078
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(N)nc(OCCO)c(C#N)c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C21H16N4O2/c1-24-19-18(17(13-22)21(25-20(19)23)27-11-10-26)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-9,12,26H,10-11H2,(H2,23,25)
InChIKeyASHKSBRCZGBUOV-UHFFFAOYSA-N
XLogP3.79
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile (CID 177102078) is 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile is [C-]#[N+]c1c(N)nc(OCCO)c(C#N)c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile?
The InChIKey is ASHKSBRCZGBUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-24-19-18(17(13-22)21(25-20(19)23)27-11-10-26)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-9,12,26H,10-11H2,(H2,23,25).
What are the key properties of 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile?
6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile has a molecular weight of 356.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-hydroxyethoxy)-5-isocyano-4-(3-phenylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 177102078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).