3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile

C16H15N3O2 — CID 43262342

IUPAC3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ccc(N)c(OCC3CC3)n2)c1
InChIInChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)21-15-7-6-14(18)16(19-15)20-10-11-4-5-11/h1-3,6-8,11H,4-5,10,18H2
InChIKeySLEGZMYYTYQKPY-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.12
Rot. Bonds5

About 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile

3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile (PubChem CID 43262342) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile
PubChem CID43262342
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ccc(N)c(OCC3CC3)n2)c1
InChIInChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)21-15-7-6-14(18)16(19-15)20-10-11-4-5-11/h1-3,6-8,11H,4-5,10,18H2
InChIKeySLEGZMYYTYQKPY-UHFFFAOYSA-N
XLogP3.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile
CID 43262343
2-(cyclopropylmethoxy)-6-(4-iodophenoxy)pyridin-3-amine
CID 43262556
6-(4-chloro-3-fluorophenoxy)-2-(cyclopropylmethoxy)pyridin-3-amine
CID 82717728
6-(4-bromo-3-fluorophenoxy)-2-(cyclopropylmethoxy)pyridin-3-amine
CID 65203378
6-[(5-chloro-3-pyridinyl)oxy]-2-(cyclopropylmethoxy)pyridin-3-amine
CID 64601345
4-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]amino]benzonitrile
CID 43261601
3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
CID 80965784
6-(5-bromo-2-methylphenoxy)-2-(cyclopropylmethoxy)pyridin-3-amine
CID 107283325
3-[(4-amino-6-chloro-2-pyridinyl)oxy]benzonitrile
CID 114070670
2-(cyclopropylmethoxy)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43261927
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile
CID 43260776
2-(cyclopropylmethoxy)-6-(3-methoxypropoxy)pyridin-3-amine
CID 54936573

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile (CID 43262342) is 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile is N#Cc1cccc(Oc2ccc(N)c(OCC3CC3)n2)c1.
What is the InChIKey of 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile?
The InChIKey is SLEGZMYYTYQKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-9-12-2-1-3-13(8-12)21-15-7-6-14(18)16(19-15)20-10-11-4-5-11/h1-3,6-8,11H,4-5,10,18H2.
What are the key properties of 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile?
3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile has a molecular weight of 281.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 43262342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).