4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

C15H19N3 — CID 103844191

IUPAC4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCC2=CCCC2)c(C#N)c(C)n1
InChIInChI=1S/C15H19N3/c1-11-9-15(14(10-16)12(2)18-11)17-8-7-13-5-3-4-6-13/h5,9H,3-4,6-8H2,1-2H3,(H,17,18)
InChIKeyHJJVBQBICQDTGV-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.48
Rot. Bonds4

About 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 103844191) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID103844191
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCC2=CCCC2)c(C#N)c(C)n1
InChIInChI=1S/C15H19N3/c1-11-9-15(14(10-16)12(2)18-11)17-8-7-13-5-3-4-6-13/h5,9H,3-4,6-8H2,1-2H3,(H,17,18)
InChIKeyHJJVBQBICQDTGV-UHFFFAOYSA-N
XLogP3.48
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
5-[2-(cyclopenten-1-yl)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 114153886
2,6-dimethyl-4-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133396657
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 81052464
N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylsulfanylbenzonitrile
CID 106173597
4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81061197

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 103844191) is 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCCC2=CCCC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is HJJVBQBICQDTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-9-15(14(10-16)12(2)18-11)17-8-7-13-5-3-4-6-13/h5,9H,3-4,6-8H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103844191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).