ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate

C13H20N2O4 — CID 106158125

IUPACethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(CCO)COC
InChIInChI=1S/C13H20N2O4/c1-3-19-13(17)11-5-4-7-14-12(11)15-10(6-8-16)9-18-2/h4-5,7,10,16H,3,6,8-9H2,1-2H3,(H,14,15)
InChIKeyHYLMTQWSLOLZEP-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.07
Rot. Bonds8

About ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate

ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate (PubChem CID 106158125) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
PubChem CID106158125
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(CCO)COC
InChIInChI=1S/C13H20N2O4/c1-3-19-13(17)11-5-4-7-14-12(11)15-10(6-8-16)9-18-2/h4-5,7,10,16H,3,6,8-9H2,1-2H3,(H,14,15)
InChIKeyHYLMTQWSLOLZEP-UHFFFAOYSA-N
XLogP1.07
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
CID 106186512
ethyl 2-(1-aminohexan-2-ylamino)pyridine-3-carboxylate
CID 80698274
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61480191
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
3-chloro-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106162707
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
ethyl 2-(2,2-difluoroethylamino)pyridine-3-carboxylate
CID 115407605
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
ethyl 2-(3-methylsulfanylbutylamino)pyridine-3-carboxylate
CID 113494066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate (CID 106158125) is ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(CCO)COC.
What is the InChIKey of ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate?
The InChIKey is HYLMTQWSLOLZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-19-13(17)11-5-4-7-14-12(11)15-10(6-8-16)9-18-2/h4-5,7,10,16H,3,6,8-9H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate?
ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 106158125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).