4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile

C13H11N3O — CID 113368098

IUPAC4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile
SMILESCNc1cc(Oc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C13H11N3O/c1-15-13-8-12(6-7-16-13)17-11-4-2-10(9-14)3-5-11/h2-8H,1H3,(H,15,16)
InChIKeyPAKASJWWQDFKGH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.79
Rot. Bonds3

About 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile

4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile (PubChem CID 113368098) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile
PubChem CID113368098
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile
SMILESCNc1cc(Oc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C13H11N3O/c1-15-13-8-12(6-7-16-13)17-11-4-2-10(9-14)3-5-11/h2-8H,1H3,(H,15,16)
InChIKeyPAKASJWWQDFKGH-UHFFFAOYSA-N
XLogP2.79
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(methylamino)phenoxy]benzonitrile
CID 15622757
4-(4-cyanophenoxy)pyridine-2-carboxylic acid
CID 43142929
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine
CID 113368109
N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
CID 102715111
N-(4-cyanophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62970236
4-(4-amino-3-methylphenoxy)pyridine-2-carbonitrile
CID 55156270
3-[[4-[4-(aminomethyl)phenoxy]-2-pyridinyl]amino]-4-[(2-amino-4-pyridinyl)oxy]benzonitrile
CID 138579415
4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
CID 62465648
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
[2-(methylamino)-4-pyridinyl]oxyboronic acid
CID 169224156
6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde
CID 145351787

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile?
The IUPAC name of 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile (CID 113368098) is 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile is CNc1cc(Oc2ccc(C#N)cc2)ccn1.
What is the InChIKey of 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile?
The InChIKey is PAKASJWWQDFKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-15-13-8-12(6-7-16-13)17-11-4-2-10(9-14)3-5-11/h2-8H,1H3,(H,15,16).
What are the key properties of 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile?
4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 113368098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).