ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate

C15H23N3O2 — CID 79873423

IUPACethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC2CCCC2(C)C)c1N
InChIInChI=1S/C15H23N3O2/c1-4-20-14(19)10-7-9-17-13(12(10)16)18-11-6-5-8-15(11,2)3/h7,9,11H,4-6,8,16H2,1-3H3,(H,17,18)
InChIKeyQXMFHIIUYLUOHW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.83
Rot. Bonds4

About ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate

ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate (PubChem CID 79873423) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate
PubChem CID79873423
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC2CCCC2(C)C)c1N
InChIInChI=1S/C15H23N3O2/c1-4-20-14(19)10-7-9-17-13(12(10)16)18-11-6-5-8-15(11,2)3/h7,9,11H,4-6,8,16H2,1-3H3,(H,17,18)
InChIKeyQXMFHIIUYLUOHW-UHFFFAOYSA-N
XLogP2.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile
CID 82812965
ethyl 3-amino-2-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-4-carboxylate
CID 114505844
ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 80569564
ethyl 3-amino-4-[(2,2-dimethylcyclohexyl)amino]benzoate
CID 79870537
ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate
CID 107407274
3-N-(2,2-dimethylcyclohexyl)pyrazine-2,3-diamine
CID 103753764
ethyl 3-amino-2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylate
CID 107531011
ethyl 3-amino-2-(2-bromo-5-chloroanilino)pyridine-4-carboxylate
CID 81280660
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
propyl 4-[(2,2-dimethylcyclopentyl)amino]benzoate
CID 79863937
2-[(2,2-dimethylcyclohexyl)amino]pyridine-3-carbothioamide
CID 79877924
ethyl 3-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylate
CID 106341966

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate (CID 79873423) is ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC2CCCC2(C)C)c1N.
What is the InChIKey of ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate?
The InChIKey is QXMFHIIUYLUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-20-14(19)10-7-9-17-13(12(10)16)18-11-6-5-8-15(11,2)3/h7,9,11H,4-6,8,16H2,1-3H3,(H,17,18).
What are the key properties of ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate?
ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 79873423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).