ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate

C13H20N2O2 — CID 61166664

IUPACethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)(C)C)nc1
InChIInChI=1S/C13H20N2O2/c1-5-17-12(16)10-6-7-11(14-8-10)15-9-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,14,15)
InChIKeyHBKKKOLHXZQKGR-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.72
Rot. Bonds4

About ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate

ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate (PubChem CID 61166664) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
PubChem CID61166664
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)(C)C)nc1
InChIInChI=1S/C13H20N2O2/c1-5-17-12(16)10-6-7-11(14-8-10)15-9-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,14,15)
InChIKeyHBKKKOLHXZQKGR-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]pyridine-3-carboxylate
CID 133353047
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyridine-3-carboxylate
CID 133323689
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483
ethyl 6-(1,3-thiazol-5-ylmethylamino)pyridine-3-carboxylate
CID 104577452
ethyl 6-(1,2-oxazol-3-ylmethylamino)pyridine-3-carboxylate
CID 79492611

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate (CID 61166664) is ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC(C)(C)C)nc1.
What is the InChIKey of ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate?
The InChIKey is HBKKKOLHXZQKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-17-12(16)10-6-7-11(14-8-10)15-9-13(2,3)4/h6-8H,5,9H2,1-4H3,(H,14,15).
What are the key properties of ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate?
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate is sourced from PubChem (CID 61166664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).