2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile

C14H18ClN3 — CID 83077253

IUPAC2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile
SMILESCCC1CCC(Nc2cc(C#N)cc(Cl)n2)C1C
InChIInChI=1S/C14H18ClN3/c1-3-11-4-5-12(9(11)2)17-14-7-10(8-16)6-13(15)18-14/h6-7,9,11-12H,3-5H2,1-2H3,(H,17,18)
InChIKeyWOOYGQIWAFEMGH-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.84
Rot. Bonds3

About 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile

2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile (PubChem CID 83077253) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile
PubChem CID83077253
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile
SMILESCCC1CCC(Nc2cc(C#N)cc(Cl)n2)C1C
InChIInChI=1S/C14H18ClN3/c1-3-11-4-5-12(9(11)2)17-14-7-10(8-16)6-13(15)18-14/h6-7,9,11-12H,3-5H2,1-2H3,(H,17,18)
InChIKeyWOOYGQIWAFEMGH-UHFFFAOYSA-N
XLogP3.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-ethyl-2-methylcyclopentyl)pyrazin-2-amine
CID 64915443
2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile
CID 83076352
2-chloro-6-[(1-ethylpiperidin-4-yl)amino]pyridine-4-carbonitrile
CID 106193671
2-[(3-ethyl-2-methylcyclopentyl)amino]-5-methylbenzonitrile
CID 107927565
2-chloro-6-[(1-propylpiperidin-4-yl)amino]pyridine-4-carbonitrile
CID 83074101
2-N-ethyl-6-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,6-diamine
CID 80840678
2-tert-butyl-N-(3-ethyl-2-methylcyclopentyl)-6-hydrazinylpyrimidin-4-amine
CID 80969799
4-N-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80959948
N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
CID 64915028
N-(3-ethyl-2-methylcyclopentyl)pyridazin-3-amine
CID 64921024
2-chloro-6-[(3-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107414806
2-N-(3-ethyl-2-methylcyclopentyl)pyridine-2,5-diamine
CID 64922502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile (CID 83077253) is 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile is CCC1CCC(Nc2cc(C#N)cc(Cl)n2)C1C.
What is the InChIKey of 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile?
The InChIKey is WOOYGQIWAFEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-11-4-5-12(9(11)2)17-14-7-10(8-16)6-13(15)18-14/h6-7,9,11-12H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile has a molecular weight of 263.77 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83077253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).