2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile

C16H14N4O3 — CID 58297342

IUPAC2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(OC)nc(N)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C16H14N4O3/c1-19-14-13(12(9-17)15(18)20-16(14)22-2)10-3-5-11(6-4-10)23-8-7-21/h3-6,21H,7-8H2,2H3,(H2,18,20)
InChIKeyGQFALNPQXWCESN-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.13
Rot. Bonds5

About 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile

2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile (PubChem CID 58297342) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile
PubChem CID58297342
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile
SMILES[C-]#[N+]c1c(OC)nc(N)c(C#N)c1-c1ccc(OCCO)cc1
InChIInChI=1S/C16H14N4O3/c1-19-14-13(12(9-17)15(18)20-16(14)22-2)10-3-5-11(6-4-10)23-8-7-21/h3-6,21H,7-8H2,2H3,(H2,18,20)
InChIKeyGQFALNPQXWCESN-UHFFFAOYSA-N
XLogP2.13
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.13
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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Related Compounds

2-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-6-propyl-nicotinonitrile
CID 650901
2-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-6-ethyl-5-methyl-nicotinonitrile
CID 655992
2-Amino-4-(3-ethoxy-4-hydroxy-phenyl)-5,6-dimethyl-nicotinonitrile
CID 646868
2-Amino-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile
CID 305930
2-Amino-4-(4-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 678594
2-Amino-5-ethyl-4-(4-methoxyphenyl)-6-propylpyridine-3-carbonitrile
CID 748958
2-Amino-6-methoxy-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 677936
2-Amino-4-(2-ethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 678591
2-Amino-6-ethoxy-4-(2-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 693226
2-Amino-4-(3,4-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 722770
2-Amino-5-ethyl-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 794941
2-Amino-6-(4-methoxyphenyl)-3,4,5-tricyanopyridin
CID 12736666

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile (CID 58297342) is 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile is [C-]#[N+]c1c(OC)nc(N)c(C#N)c1-c1ccc(OCCO)cc1.
What is the InChIKey of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile?
The InChIKey is GQFALNPQXWCESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-19-14-13(12(9-17)15(18)20-16(14)22-2)10-3-5-11(6-4-10)23-8-7-21/h3-6,21H,7-8H2,2H3,(H2,18,20).
What are the key properties of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile?
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile has a molecular weight of 310.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-5-isocyano-6-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 58297342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).