2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile

C15H22N4 — CID 114766247

IUPAC2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C15H22N4/c1-12(11-19-5-3-4-6-19)10-17-15-8-14(9-16)7-13(2)18-15/h7-8,12H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyIVBLTVVUDQJOBX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.41
Rot. Bonds5

About 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile

2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 114766247) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
PubChem CID114766247
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C15H22N4/c1-12(11-19-5-3-4-6-19)10-17-15-8-14(9-16)7-13(2)18-15/h7-8,12H,3-6,10-11H2,1-2H3,(H,17,18)
InChIKeyIVBLTVVUDQJOBX-UHFFFAOYSA-N
XLogP2.41
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile (CID 114766247) is 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile is Cc1cc(C#N)cc(NCC(C)CN2CCCC2)n1.
What is the InChIKey of 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is IVBLTVVUDQJOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(11-19-5-3-4-6-19)10-17-15-8-14(9-16)7-13(2)18-15/h7-8,12H,3-6,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile?
2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114766247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).