6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile

C20H14N4O — CID 133392430

IUPAC6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(COc2ccc(Nc3cccc(C#N)n3)cc2)c1
InChIInChI=1S/C20H14N4O/c21-12-15-3-1-4-16(11-15)14-25-19-9-7-17(8-10-19)23-20-6-2-5-18(13-22)24-20/h1-11H,14H2,(H,23,24)
InChIKeyTZDITWJOECXXIC-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.15
Rot. Bonds5

About 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile

6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile (PubChem CID 133392430) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
PubChem CID133392430
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(COc2ccc(Nc3cccc(C#N)n3)cc2)c1
InChIInChI=1S/C20H14N4O/c21-12-15-3-1-4-16(11-15)14-25-19-9-7-17(8-10-19)23-20-6-2-5-18(13-22)24-20/h1-11H,14H2,(H,23,24)
InChIKeyTZDITWJOECXXIC-UHFFFAOYSA-N
XLogP4.15
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
6-[4-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133391829
5-chloro-6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-3-carboxamide
CID 133294464
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
3-[(3-tert-butylphenoxy)methyl]benzonitrile
CID 43238316
methyl 4-[4-[(6-cyano-2-pyridinyl)amino]phenoxy]butanoate
CID 133392532
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
3-[(3,5-ditert-butyl-4-hydroxyphenoxy)methyl]benzonitrile
CID 15027732
3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
CID 79800273

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile (CID 133392430) is 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile is N#Cc1cccc(COc2ccc(Nc3cccc(C#N)n3)cc2)c1.
What is the InChIKey of 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile?
The InChIKey is TZDITWJOECXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c21-12-15-3-1-4-16(11-15)14-25-19-9-7-17(8-10-19)23-20-6-2-5-18(13-22)24-20/h1-11H,14H2,(H,23,24).
What are the key properties of 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile?
6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-cyanophenyl)methoxy]anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).