2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile

C13H19N3O — CID 61177452

IUPAC2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCCCN(C)C)n1
InChIInChI=1S/C13H19N3O/c1-10-8-11(2)15-13(12(10)9-14)17-7-5-6-16(3)4/h8H,5-7H2,1-4H3
InChIKeyDUQDYXYFRYVOPD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds5

About 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile

2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61177452) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61177452
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OCCCN(C)C)n1
InChIInChI=1S/C13H19N3O/c1-10-8-11(2)15-13(12(10)9-14)17-7-5-6-16(3)4/h8H,5-7H2,1-4H3
InChIKeyDUQDYXYFRYVOPD-UHFFFAOYSA-N
XLogP1.90
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
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 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile (CID 61177452) is 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(OCCCN(C)C)n1.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is DUQDYXYFRYVOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-8-11(2)15-13(12(10)9-14)17-7-5-6-16(3)4/h8H,5-7H2,1-4H3.
What are the key properties of 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile?
2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61177452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).