3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile

C14H13N3O — CID 79240035

IUPAC3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
SMILESCNc1cccc(COc2cccc(C#N)c2)n1
InChIInChI=1S/C14H13N3O/c1-16-14-7-3-5-12(17-14)10-18-13-6-2-4-11(8-13)9-15/h2-8H,10H2,1H3,(H,16,17)
InChIKeyACCPMNLEPHRWLN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.57
Rot. Bonds4

About 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile

3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile (PubChem CID 79240035) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile.

Molecular Properties

Compound Name3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
PubChem CID79240035
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
SMILESCNc1cccc(COc2cccc(C#N)c2)n1
InChIInChI=1S/C14H13N3O/c1-16-14-7-3-5-12(17-14)10-18-13-6-2-4-11(8-13)9-15/h2-8H,10H2,1H3,(H,16,17)
InChIKeyACCPMNLEPHRWLN-UHFFFAOYSA-N
XLogP2.57
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[6-(methylamino)-2-pyridinyl]methoxy]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-[(6-hydrazinyl-2-pyridinyl)methoxy]benzonitrile
CID 79234453
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660580
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
3-[[2-(methylamino)-3-pyridinyl]methoxy]benzonitrile
CID 62464085
6-[(5-bromo-3-pyridinyl)oxymethyl]-N-methylpyridin-2-amine
CID 79239382
3-[(2,4,6-trimethylphenyl)methoxy]benzonitrile
CID 55070484
3-[2-(6-methyl-2-pyridinyl)ethoxy]benzonitrile
CID 19357406
3-[[2-chloro-4-(methylamino)phenyl]methoxy]benzonitrile
CID 67990848
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056
3-[2-(4-methoxyphenoxy)ethoxy]benzonitrile
CID 22686799
4-[(3-cyanophenoxy)methyl]-3-methylbenzonitrile
CID 114481500

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile?
The IUPAC name of 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile (CID 79240035) is 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile.
What is the SMILES notation for 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile?
The canonical SMILES for 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile is CNc1cccc(COc2cccc(C#N)c2)n1.
What is the InChIKey of 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile?
The InChIKey is ACCPMNLEPHRWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16-14-7-3-5-12(17-14)10-18-13-6-2-4-11(8-13)9-15/h2-8H,10H2,1H3,(H,16,17).
What are the key properties of 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile?
3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(methylamino)-2-pyridinyl]methoxy]benzonitrile is sourced from PubChem (CID 79240035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).