2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile

C20H16FN3O2 — CID 60507745

IUPAC2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile
SMILESCOc1ccc(Oc2cc(CNc3cccc(F)c3C#N)ccn2)cc1
InChIInChI=1S/C20H16FN3O2/c1-25-15-5-7-16(8-6-15)26-20-11-14(9-10-23-20)13-24-19-4-2-3-18(21)17(19)12-22/h2-11,24H,13H2,1H3
InChIKeyDSGDNOYMVGAKQX-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.51
Rot. Bonds6

About 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile

2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile (PubChem CID 60507745) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile
PubChem CID60507745
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile
SMILESCOc1ccc(Oc2cc(CNc3cccc(F)c3C#N)ccn2)cc1
InChIInChI=1S/C20H16FN3O2/c1-25-15-5-7-16(8-6-15)26-20-11-14(9-10-23-20)13-24-19-4-2-3-18(21)17(19)12-22/h2-11,24H,13H2,1H3
InChIKeyDSGDNOYMVGAKQX-UHFFFAOYSA-N
XLogP4.51
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-6-[(2-methoxy-4-pyridinyl)methylamino]benzonitrile
CID 114881000
2-[(2,5-dimethoxyphenyl)methylamino]-6-fluorobenzonitrile
CID 31664189
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62321833
2-fluoro-6-[3-(4-methoxyphenyl)propylamino]benzonitrile
CID 133287453
2-fluoro-6-[(4-propoxyphenyl)methylamino]benzonitrile
CID 43580160
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-6-fluorobenzonitrile
CID 43580194
2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile
CID 34001293
N-[2-(2-cyano-3-fluoroanilino)ethyl]-4-methoxybenzamide
CID 47037739
2-[(4-bromo-3-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 78982287
4-cyano-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]benzenesulfonamide
CID 55914039
2-bromo-6-[(3-methoxyphenyl)methylamino]benzonitrile
CID 114880674

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile (CID 60507745) is 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile is COc1ccc(Oc2cc(CNc3cccc(F)c3C#N)ccn2)cc1.
What is the InChIKey of 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile?
The InChIKey is DSGDNOYMVGAKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-25-15-5-7-16(8-6-15)26-20-11-14(9-10-23-20)13-24-19-4-2-3-18(21)17(19)12-22/h2-11,24H,13H2,1H3.
What are the key properties of 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile?
2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile has a molecular weight of 349.37 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(4-methoxyphenoxy)-4-pyridinyl]methylamino]benzonitrile is sourced from PubChem (CID 60507745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).