4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile

C13H11N3O — CID 66280001

IUPAC4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
SMILESCc1cnc(Oc2ccc(C#N)cc2)c(N)c1
InChIInChI=1S/C13H11N3O/c1-9-6-12(15)13(16-8-9)17-11-4-2-10(7-14)3-5-11/h2-6,8H,15H2,1H3
InChIKeySRPLGUKEWRPNCO-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds2

About 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile

4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile (PubChem CID 66280001) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
PubChem CID66280001
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
SMILESCc1cnc(Oc2ccc(C#N)cc2)c(N)c1
InChIInChI=1S/C13H11N3O/c1-9-6-12(15)13(16-8-9)17-11-4-2-10(7-14)3-5-11/h2-6,8H,15H2,1H3
InChIKeySRPLGUKEWRPNCO-UHFFFAOYSA-N
XLogP2.64
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 105368203
2-(4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66279784
5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CID 103469462
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
5-methyl-2-(4-propylphenoxy)pyridin-3-amine
CID 66281105
2-(3,5-dimethoxyphenoxy)-5-methylpyridin-3-amine
CID 66278697
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
2-(3-chloro-4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66278255
N-[4-[(3-amino-5-methyl-2-pyridinyl)oxy]phenyl]-N-methylbut-2-ynamide
CID 167496006
5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469506
5-methyl-2-quinolin-7-yloxypyridin-3-amine
CID 107313223
5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469705

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile (CID 66280001) is 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile is Cc1cnc(Oc2ccc(C#N)cc2)c(N)c1.
What is the InChIKey of 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile?
The InChIKey is SRPLGUKEWRPNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-6-12(15)13(16-8-9)17-11-4-2-10(7-14)3-5-11/h2-6,8H,15H2,1H3.
What are the key properties of 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile?
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 66280001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).