6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile

C13H18N4 — CID 64594544

IUPAC6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile
SMILESCN(CCN1CCCC1)c1cccc(C#N)n1
InChIInChI=1S/C13H18N4/c1-16(9-10-17-7-2-3-8-17)13-6-4-5-12(11-14)15-13/h4-6H,2-3,7-10H2,1H3
InChIKeyPXDCROJYRIFFRY-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.49
Rot. Bonds4

About 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile

6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile (PubChem CID 64594544) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile
PubChem CID64594544
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile
SMILESCN(CCN1CCCC1)c1cccc(C#N)n1
InChIInChI=1S/C13H18N4/c1-16(9-10-17-7-2-3-8-17)13-6-4-5-12(11-14)15-13/h4-6H,2-3,7-10H2,1H3
InChIKeyPXDCROJYRIFFRY-UHFFFAOYSA-N
XLogP1.49
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile (CID 64594544) is 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile is CN(CCN1CCCC1)c1cccc(C#N)n1.
What is the InChIKey of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile?
The InChIKey is PXDCROJYRIFFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16(9-10-17-7-2-3-8-17)13-6-4-5-12(11-14)15-13/h4-6H,2-3,7-10H2,1H3.
What are the key properties of 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile?
6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 64594544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).