4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile

C14H13N3O — CID 63887840

IUPAC4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2cccc(CN)c2)ccn1
InChIInChI=1S/C14H13N3O/c15-8-11-2-1-3-14(7-11)18-10-12-4-5-17-13(6-12)9-16/h1-7H,8,10,15H2
InChIKeyXVYJRBYDRHTYQH-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.99
Rot. Bonds4

About 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile

4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 63887840) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID63887840
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2cccc(CN)c2)ccn1
InChIInChI=1S/C14H13N3O/c15-8-11-2-1-3-14(7-11)18-10-12-4-5-17-13(6-12)9-16/h1-7H,8,10,15H2
InChIKeyXVYJRBYDRHTYQH-UHFFFAOYSA-N
XLogP1.99
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 63887840) is 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2cccc(CN)c2)ccn1.
What is the InChIKey of 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is XVYJRBYDRHTYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-8-11-2-1-3-14(7-11)18-10-12-4-5-17-13(6-12)9-16/h1-7H,8,10,15H2.
What are the key properties of 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile?
4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63887840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).