2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile

C14H18N4 — CID 82813269

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC3CCCC32)c1N
InChIInChI=1S/C14H18N4/c15-9-11-6-7-17-14(13(11)16)18-8-2-4-10-3-1-5-12(10)18/h6-7,10,12H,1-5,8,16H2
InChIKeyGZBHQYUGLGZHGV-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.30
Rot. Bonds1

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile (PubChem CID 82813269) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile
PubChem CID82813269
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC3CCCC32)c1N
InChIInChI=1S/C14H18N4/c15-9-11-6-7-17-14(13(11)16)18-8-2-4-10-3-1-5-12(10)18/h6-7,10,12H,1-5,8,16H2
InChIKeyGZBHQYUGLGZHGV-UHFFFAOYSA-N
XLogP2.30
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile with MolForge

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyridazine-4-carbonitrile
CID 80510301
3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 82817295
1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 82817618
3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 82812744
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pyrimidine-5-carbonitrile
CID 112755060
3-amino-2-(4-methoxy-2-methylpiperidin-1-yl)pyridine-4-carbonitrile
CID 114220686
3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile
CID 82812738
(4aS,8aR)-1-(3-chloropyrazin-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 129413710
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107061252
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
CID 63021701
3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 112624077
2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061376

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile (CID 82813269) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile is N#Cc1ccnc(N2CCCC3CCCC32)c1N.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile?
The InChIKey is GZBHQYUGLGZHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-9-11-6-7-17-14(13(11)16)18-8-2-4-10-3-1-5-12(10)18/h6-7,10,12H,1-5,8,16H2.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile is sourced from PubChem (CID 82813269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).