4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile

C14H13N3O2 — CID 70975984

IUPAC4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
SMILESCCOc1cc(Oc2ccc(N)cn2)ccc1C#N
InChIInChI=1S/C14H13N3O2/c1-2-18-13-7-12(5-3-10(13)8-15)19-14-6-4-11(16)9-17-14/h3-7,9H,2,16H2,1H3
InChIKeyYQNVHOWAQKLQCF-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.73
Rot. Bonds4

About 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile

4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile (PubChem CID 70975984) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile.

Molecular Properties

Compound Name4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
PubChem CID70975984
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile
SMILESCCOc1cc(Oc2ccc(N)cn2)ccc1C#N
InChIInChI=1S/C14H13N3O2/c1-2-18-13-7-12(5-3-10(13)8-15)19-14-6-4-11(16)9-17-14/h3-7,9H,2,16H2,1H3
InChIKeyYQNVHOWAQKLQCF-UHFFFAOYSA-N
XLogP2.73
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile?
The IUPAC name of 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile (CID 70975984) is 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile.
What is the SMILES notation for 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile?
The canonical SMILES for 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile is CCOc1cc(Oc2ccc(N)cn2)ccc1C#N.
What is the InChIKey of 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile?
The InChIKey is YQNVHOWAQKLQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-18-13-7-12(5-3-10(13)8-15)19-14-6-4-11(16)9-17-14/h3-7,9H,2,16H2,1H3.
What are the key properties of 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile?
4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-pyridinyl)oxy]-2-ethoxybenzonitrile is sourced from PubChem (CID 70975984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).