ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate

C13H20N2O3 — CID 104695551

IUPACethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(C)(C)OC
InChIInChI=1S/C13H20N2O3/c1-5-18-12(16)10-7-6-8-14-11(10)15-9-13(2,3)17-4/h6-8H,5,9H2,1-4H3,(H,14,15)
InChIKeyWXYAIPZPABCAFH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.10
Rot. Bonds6

About ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate

ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate (PubChem CID 104695551) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
PubChem CID104695551
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(C)(C)OC
InChIInChI=1S/C13H20N2O3/c1-5-18-12(16)10-7-6-8-14-11(10)15-9-13(2,3)17-4/h6-8H,5,9H2,1-4H3,(H,14,15)
InChIKeyWXYAIPZPABCAFH-UHFFFAOYSA-N
XLogP2.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43310600
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 104695405
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
ethyl 2-(2-methylsulfinylethylamino)pyridine-3-carboxylate
CID 104695493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate (CID 104695551) is ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC(C)(C)OC.
What is the InChIKey of ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The InChIKey is WXYAIPZPABCAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-18-12(16)10-7-6-8-14-11(10)15-9-13(2,3)17-4/h6-8H,5,9H2,1-4H3,(H,14,15).
What are the key properties of ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate?
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 104695551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).