2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile

C10H13N3O2 — CID 12563412

IUPAC2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile
SMILESCOC(CNc1ncccc1C#N)OC
InChIInChI=1S/C10H13N3O2/c1-14-9(15-2)7-13-10-8(6-11)4-3-5-12-10/h3-5,9H,7H2,1-2H3,(H,12,13)
InChIKeyXLJDDFUVWHVSJT-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.98
Rot. Bonds5

About 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile

2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile (PubChem CID 12563412) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile
PubChem CID12563412
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile
SMILESCOC(CNc1ncccc1C#N)OC
InChIInChI=1S/C10H13N3O2/c1-14-9(15-2)7-13-10-8(6-11)4-3-5-12-10/h3-5,9H,7H2,1-2H3,(H,12,13)
InChIKeyXLJDDFUVWHVSJT-UHFFFAOYSA-N
XLogP0.98
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile (CID 12563412) is 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile is COC(CNc1ncccc1C#N)OC.
What is the InChIKey of 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile?
The InChIKey is XLJDDFUVWHVSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-14-9(15-2)7-13-10-8(6-11)4-3-5-12-10/h3-5,9H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile?
2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile has a molecular weight of 207.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 12563412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).