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

C14H21N3O — CID 103801614

IUPAC6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCCOCC(C)C)n1
InChIInChI=1S/C14H21N3O/c1-11(2)10-18-8-4-7-16-14-13(9-15)6-5-12(3)17-14/h5-6,11H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyKJIOSTUEDYLLFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.74
Rot. Bonds7

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

6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile (PubChem CID 103801614) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile
PubChem CID103801614
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCCOCC(C)C)n1
InChIInChI=1S/C14H21N3O/c1-11(2)10-18-8-4-7-16-14-13(9-15)6-5-12(3)17-14/h5-6,11H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyKJIOSTUEDYLLFV-UHFFFAOYSA-N
XLogP2.74
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.74
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-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile (CID 103801614) is 6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(NCCCOCC(C)C)n1.
What is the InChIKey of 6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile?
The InChIKey is KJIOSTUEDYLLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)10-18-8-4-7-16-14-13(9-15)6-5-12(3)17-14/h5-6,11H,4,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile?
6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(2-methylpropoxy)propylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103801614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).