4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile

C10H13N3O — CID 63880788

IUPAC4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
SMILESCNCCOCc1ccnc(C#N)c1
InChIInChI=1S/C10H13N3O/c1-12-4-5-14-8-9-2-3-13-10(6-9)7-11/h2-3,6,12H,4-5,8H2,1H3
InChIKeyJBNVCMYEXDIIPB-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.69
Rot. Bonds5

About 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile

4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile (PubChem CID 63880788) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
PubChem CID63880788
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
SMILESCNCCOCc1ccnc(C#N)c1
InChIInChI=1S/C10H13N3O/c1-12-4-5-14-8-9-2-3-13-10(6-9)7-11/h2-3,6,12H,4-5,8H2,1H3
InChIKeyJBNVCMYEXDIIPB-UHFFFAOYSA-N
XLogP0.69
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile (CID 63880788) is 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile is CNCCOCc1ccnc(C#N)c1.
What is the InChIKey of 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile?
The InChIKey is JBNVCMYEXDIIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-12-4-5-14-8-9-2-3-13-10(6-9)7-11/h2-3,6,12H,4-5,8H2,1H3.
What are the key properties of 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile?
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63880788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).