2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile

C14H17N3 — CID 106173577

IUPAC2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCCC2=CCCC2)n1
InChIInChI=1S/C14H17N3/c1-11-8-13(10-15)9-14(17-11)16-7-6-12-4-2-3-5-12/h4,8-9H,2-3,5-7H2,1H3,(H,16,17)
InChIKeyWCEQUAFYJOEDEY-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile

2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 106173577) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
PubChem CID106173577
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCCC2=CCCC2)n1
InChIInChI=1S/C14H17N3/c1-11-8-13(10-15)9-14(17-11)16-7-6-12-4-2-3-5-12/h4,8-9H,2-3,5-7H2,1H3,(H,16,17)
InChIKeyWCEQUAFYJOEDEY-UHFFFAOYSA-N
XLogP3.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.17
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

N-[2-(cyclopenten-1-yl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 103844282
4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 103844191
4-[2-(cyclopenten-1-yl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136849718
5-amino-6-[2-(cyclopenten-1-yl)ethylamino]pyridine-3-carbonitrile
CID 106166022
2-[2-(cyclopenten-1-yl)ethylamino]quinoline-4-carbonitrile
CID 103844235
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114765933
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867644
3-[2-(cyclohexen-1-yl)ethylamino]-5-fluorobenzonitrile
CID 102815512
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
N-[2-(cyclopenten-1-yl)ethyl]-5-methylpyridazin-3-amine
CID 106177646
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile (CID 106173577) is 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NCCC2=CCCC2)n1.
What is the InChIKey of 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is WCEQUAFYJOEDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-8-13(10-15)9-14(17-11)16-7-6-12-4-2-3-5-12/h4,8-9H,2-3,5-7H2,1H3,(H,16,17).
What are the key properties of 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile?
2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 227.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopenten-1-yl)ethylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 106173577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).