6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile

C11H15N3O — CID 64593617

IUPAC6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile
SMILESCN(C)CCCOc1cccc(C#N)n1
InChIInChI=1S/C11H15N3O/c1-14(2)7-4-8-15-11-6-3-5-10(9-12)13-11/h3,5-6H,4,7-8H2,1-2H3
InChIKeyFCJUNMFQBDPWKN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.28
Rot. Bonds5

About 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile

6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile (PubChem CID 64593617) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile
PubChem CID64593617
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile
SMILESCN(C)CCCOc1cccc(C#N)n1
InChIInChI=1S/C11H15N3O/c1-14(2)7-4-8-15-11-6-3-5-10(9-12)13-11/h3,5-6H,4,7-8H2,1-2H3
InChIKeyFCJUNMFQBDPWKN-UHFFFAOYSA-N
XLogP1.28
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.28
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 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile (CID 64593617) is 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile is CN(C)CCCOc1cccc(C#N)n1.
What is the InChIKey of 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile?
The InChIKey is FCJUNMFQBDPWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14(2)7-4-8-15-11-6-3-5-10(9-12)13-11/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile?
6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 64593617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).