2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile

C13H16N4 — CID 113335499

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1N1CC2CCCC2C1
InChIInChI=1S/C13H16N4/c14-5-11-4-12(15)6-16-13(11)17-7-9-2-1-3-10(9)8-17/h4,6,9-10H,1-3,7-8,15H2
InChIKeyHSIVDYCYVBUAOS-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.77
Rot. Bonds1

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile (PubChem CID 113335499) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile
PubChem CID113335499
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile
SMILESN#Cc1cc(N)cnc1N1CC2CCCC2C1
InChIInChI=1S/C13H16N4/c14-5-11-4-12(15)6-16-13(11)17-7-9-2-1-3-10(9)8-17/h4,6,9-10H,1-3,7-8,15H2
InChIKeyHSIVDYCYVBUAOS-UHFFFAOYSA-N
XLogP1.77
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-bromopyridin-3-amine
CID 115558883
5-amino-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 112624233
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 115559868
5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 63168667
4-(5-amino-3-cyano-2-pyridinyl)morpholine-2-carbonitrile
CID 79674180
5-amino-2-(2,4-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 114086186
[1-(5-amino-3-cyano-2-pyridinyl)piperidin-4-yl] benzoate
CID 125499447
2-(azetidin-1-yl)pyridine-3,5-dicarbonitrile
CID 123677104
5-amino-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 60922873
5-bromo-2-(3-hydroxypiperidin-1-yl)pyridine-3-carbonitrile
CID 76848480
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile
CID 115559870
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile (CID 113335499) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile is N#Cc1cc(N)cnc1N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile?
The InChIKey is HSIVDYCYVBUAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-5-11-4-12(15)6-16-13(11)17-7-9-2-1-3-10(9)8-17/h4,6,9-10H,1-3,7-8,15H2.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-aminopyridine-3-carbonitrile is sourced from PubChem (CID 113335499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).