3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile

C10H13N3O — CID 142465455

IUPAC3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile
SMILESCNCCOc1cnc(C#N)c(C)c1
InChIInChI=1S/C10H13N3O/c1-8-5-9(14-4-3-12-2)7-13-10(8)6-11/h5,7,12H,3-4H2,1-2H3
InChIKeyCKDKPEAMGQZWDI-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.86
Rot. Bonds4

About 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile

3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile (PubChem CID 142465455) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile
PubChem CID142465455
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile
SMILESCNCCOc1cnc(C#N)c(C)c1
InChIInChI=1S/C10H13N3O/c1-8-5-9(14-4-3-12-2)7-13-10(8)6-11/h5,7,12H,3-4H2,1-2H3
InChIKeyCKDKPEAMGQZWDI-UHFFFAOYSA-N
XLogP0.86
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.86
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 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile?
The IUPAC name of 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile (CID 142465455) is 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile?
The canonical SMILES for 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile is CNCCOc1cnc(C#N)c(C)c1.
What is the InChIKey of 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile?
The InChIKey is CKDKPEAMGQZWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-5-9(14-4-3-12-2)7-13-10(8)6-11/h5,7,12H,3-4H2,1-2H3.
What are the key properties of 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile?
3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 142465455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).