4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile

C15H15N3O2 — CID 43262138

IUPAC4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile
SMILESCC(C)Oc1nc(Oc2ccc(C#N)cc2)ccc1N
InChIInChI=1S/C15H15N3O2/c1-10(2)19-15-13(17)7-8-14(18-15)20-12-5-3-11(9-16)4-6-12/h3-8,10H,17H2,1-2H3
InChIKeyMCHCLLUWVFAPHE-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.11
Rot. Bonds4

About 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile

4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile (PubChem CID 43262138) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile
PubChem CID43262138
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile
SMILESCC(C)Oc1nc(Oc2ccc(C#N)cc2)ccc1N
InChIInChI=1S/C15H15N3O2/c1-10(2)19-15-13(17)7-8-14(18-15)20-12-5-3-11(9-16)4-6-12/h3-8,10H,17H2,1-2H3
InChIKeyMCHCLLUWVFAPHE-UHFFFAOYSA-N
XLogP3.11
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-difluorophenoxy)-2-propan-2-yloxypyridin-3-amine
CID 62784272
6-(4-bromo-3-methylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 83133166
6-(4-bromo-3,5-dimethylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 107722526
6-(2-bromo-4-methoxyphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 104706569
6-(3-ethylphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262374
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 62868776
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
CID 68759568
6-(4-propan-2-yloxyphenoxy)pyridine-2-carbonitrile
CID 133392591
4-(4-amino-N-methyl-3-propan-2-yloxyanilino)benzonitrile
CID 83005105
6-(2,4-dichlorophenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262152
6-(2-ethoxyphenoxy)-2-propan-2-yloxypyridin-3-amine
CID 43262018
6-(2,3-difluorophenoxy)-2-propan-2-yloxypyridin-3-amine
CID 63037603

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile (CID 43262138) is 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile is CC(C)Oc1nc(Oc2ccc(C#N)cc2)ccc1N.
What is the InChIKey of 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile?
The InChIKey is MCHCLLUWVFAPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(2)19-15-13(17)7-8-14(18-15)20-12-5-3-11(9-16)4-6-12/h3-8,10H,17H2,1-2H3.
What are the key properties of 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile?
4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile has a molecular weight of 269.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-propan-2-yloxy-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 43262138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).