ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate

C17H20N2O4 — CID 47082819

IUPACethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(O)c1ccccc1OC
InChIInChI=1S/C17H20N2O4/c1-3-23-17(21)13-8-6-10-18-16(13)19-11-14(20)12-7-4-5-9-15(12)22-2/h4-10,14,20H,3,11H2,1-2H3,(H,18,19)
InChIKeyBDYGKUCVFRDJHZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.41
Rot. Bonds7

About ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate

ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate (PubChem CID 47082819) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate
PubChem CID47082819
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(O)c1ccccc1OC
InChIInChI=1S/C17H20N2O4/c1-3-23-17(21)13-8-6-10-18-16(13)19-11-14(20)12-7-4-5-9-15(12)22-2/h4-10,14,20H,3,11H2,1-2H3,(H,18,19)
InChIKeyBDYGKUCVFRDJHZ-UHFFFAOYSA-N
XLogP2.41
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-N-methylpyridine-3-carboxamide
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ethyl 2-(tert-butylamino)pyridine-3-carboxylate
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4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
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CID 113494066

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate (CID 47082819) is ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC(O)c1ccccc1OC.
What is the InChIKey of ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate?
The InChIKey is BDYGKUCVFRDJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-23-17(21)13-8-6-10-18-16(13)19-11-14(20)12-7-4-5-9-15(12)22-2/h4-10,14,20H,3,11H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate?
ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-hydroxy-2-(2-methoxyphenyl)ethyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 47082819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).