6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile

C12H17N3O — CID 62348947

IUPAC6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile
SMILESCCCNCCOc1nc(C)ccc1C#N
InChIInChI=1S/C12H17N3O/c1-3-6-14-7-8-16-12-11(9-13)5-4-10(2)15-12/h4-5,14H,3,6-8H2,1-2H3
InChIKeySCMBZNKXNOBXHN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.64
Rot. Bonds6

About 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile

6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile (PubChem CID 62348947) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile
PubChem CID62348947
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile
SMILESCCCNCCOc1nc(C)ccc1C#N
InChIInChI=1S/C12H17N3O/c1-3-6-14-7-8-16-12-11(9-13)5-4-10(2)15-12/h4-5,14H,3,6-8H2,1-2H3
InChIKeySCMBZNKXNOBXHN-UHFFFAOYSA-N
XLogP1.64
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.64
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 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile (CID 62348947) is 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile is CCCNCCOc1nc(C)ccc1C#N.
What is the InChIKey of 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile?
The InChIKey is SCMBZNKXNOBXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-6-14-7-8-16-12-11(9-13)5-4-10(2)15-12/h4-5,14H,3,6-8H2,1-2H3.
What are the key properties of 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile?
6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(propylamino)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 62348947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).