5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile

C13H16N4 — CID 106166022

IUPAC5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCCC2=CCCC2)c(N)c1
InChIInChI=1S/C13H16N4/c14-8-11-7-12(15)13(17-9-11)16-6-5-10-3-1-2-4-10/h3,7,9H,1-2,4-6,15H2,(H,16,17)
InChIKeyBFYIXVXPQSJHPS-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.45
Rot. Bonds4

About 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile

5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 106166022) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID106166022
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCCC2=CCCC2)c(N)c1
InChIInChI=1S/C13H16N4/c14-8-11-7-12(15)13(17-9-11)16-6-5-10-3-1-2-4-10/h3,7,9H,1-2,4-6,15H2,(H,16,17)
InChIKeyBFYIXVXPQSJHPS-UHFFFAOYSA-N
XLogP2.45
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 106173577
5-amino-6-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 103467700
5-amino-6-[2-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468756
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 106414189
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 55110800
5-amino-6-[2-(2-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 106259794
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
CID 19137103

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile (CID 106166022) is 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile is N#Cc1cnc(NCCC2=CCCC2)c(N)c1.
What is the InChIKey of 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is BFYIXVXPQSJHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-8-11-7-12(15)13(17-9-11)16-6-5-10-3-1-2-4-10/h3,7,9H,1-2,4-6,15H2,(H,16,17).
What are the key properties of 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 106166022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).