3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile

C20H17N3O — CID 75471136

IUPAC3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile
SMILESN#Cc1cccc(NCc2ccccc2OCc2ccccn2)c1
InChIInChI=1S/C20H17N3O/c21-13-16-6-5-9-18(12-16)23-14-17-7-1-2-10-20(17)24-15-19-8-3-4-11-22-19/h1-12,23H,14-15H2
InChIKeyGHGKAKNBMJCLNO-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.14
Rot. Bonds6

About 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile

3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile (PubChem CID 75471136) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile.

Molecular Properties

Compound Name3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile
PubChem CID75471136
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile
SMILESN#Cc1cccc(NCc2ccccc2OCc2ccccn2)c1
InChIInChI=1S/C20H17N3O/c21-13-16-6-5-9-18(12-16)23-14-17-7-1-2-10-20(17)24-15-19-8-3-4-11-22-19/h1-12,23H,14-15H2
InChIKeyGHGKAKNBMJCLNO-UHFFFAOYSA-N
XLogP4.14
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
3-(quinolin-8-ylmethylamino)benzonitrile
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4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
3-[(3-bromo-2-hydroxyphenyl)methylamino]benzonitrile
CID 61390106
3-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
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3-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60689652
3-[(2-methoxy-5-methylphenyl)methylamino]benzonitrile
CID 43408626
methyl 2-[(3-cyanoanilino)methyl]benzoate
CID 43762462
3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110883598
3-(3-cyanoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 109022093
3-[4-(pyridin-2-ylmethylsulfanyl)anilino]benzonitrile
CID 142234394

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile?
The IUPAC name of 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile (CID 75471136) is 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile.
What is the SMILES notation for 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile?
The canonical SMILES for 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile is N#Cc1cccc(NCc2ccccc2OCc2ccccn2)c1.
What is the InChIKey of 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile?
The InChIKey is GHGKAKNBMJCLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-13-16-6-5-9-18(12-16)23-14-17-7-1-2-10-20(17)24-15-19-8-3-4-11-22-19/h1-12,23H,14-15H2.
What are the key properties of 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile?
3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile has a molecular weight of 315.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(pyridin-2-ylmethoxy)phenyl]methylamino]benzonitrile is sourced from PubChem (CID 75471136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).