6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile

C12H16N4 — CID 114794421

IUPAC6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCC2CCCN2)n1
InChIInChI=1S/C12H16N4/c13-9-11-3-1-5-12(16-11)15-8-6-10-4-2-7-14-10/h1,3,5,10,14H,2,4,6-8H2,(H,15,16)
InChIKeyCGLFXULCFRVGSX-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.51
Rot. Bonds4

About 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile

6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile (PubChem CID 114794421) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile
PubChem CID114794421
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCCC2CCCN2)n1
InChIInChI=1S/C12H16N4/c13-9-11-3-1-5-12(16-11)15-8-6-10-4-2-7-14-10/h1,3,5,10,14H,2,4,6-8H2,(H,15,16)
InChIKeyCGLFXULCFRVGSX-UHFFFAOYSA-N
XLogP1.51
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972856
3-methyl-2-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 107111505
2-chloro-6-(2-pyrrolidin-2-ylethylamino)benzonitrile
CID 114794369
2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104972838
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 104973469
2-N,2-N-dimethyl-4-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 104972916
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile
CID 64589579
6-[3-[(2R)-oxan-2-yl]propylamino]pyridine-2-carbonitrile
CID 124618528
6-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973220
1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 104973215

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile (CID 114794421) is 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile is N#Cc1cccc(NCCC2CCCN2)n1.
What is the InChIKey of 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile?
The InChIKey is CGLFXULCFRVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-9-11-3-1-5-12(16-11)15-8-6-10-4-2-7-14-10/h1,3,5,10,14H,2,4,6-8H2,(H,15,16).
What are the key properties of 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile?
6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-2-ylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 114794421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).