2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile

C16H17N3O2 — CID 39772559

IUPAC2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile
SMILESCOc1ccc(OCCN(C)c2ncccc2C#N)cc1
InChIInChI=1S/C16H17N3O2/c1-19(16-13(12-17)4-3-9-18-16)10-11-21-15-7-5-14(20-2)6-8-15/h3-9H,10-11H2,1-2H3
InChIKeyNXMLBIORAITMNM-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile

2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile (PubChem CID 39772559) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile
PubChem CID39772559
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile
SMILESCOc1ccc(OCCN(C)c2ncccc2C#N)cc1
InChIInChI=1S/C16H17N3O2/c1-19(16-13(12-17)4-3-9-18-16)10-11-21-15-7-5-14(20-2)6-8-15/h3-9H,10-11H2,1-2H3
InChIKeyNXMLBIORAITMNM-UHFFFAOYSA-N
XLogP2.48
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile (CID 39772559) is 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile is COc1ccc(OCCN(C)c2ncccc2C#N)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile?
The InChIKey is NXMLBIORAITMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(16-13(12-17)4-3-9-18-16)10-11-21-15-7-5-14(20-2)6-8-15/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile?
2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 39772559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).