ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate

C13H20N2O4 — CID 54999147

IUPACethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC(O)COC
InChIInChI=1S/C13H20N2O4/c1-4-19-13(17)11-6-5-7-14-12(11)15(2)8-10(16)9-18-3/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyRBRVMQXHYWFIGZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.70
Rot. Bonds7

About ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate

ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate (PubChem CID 54999147) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
PubChem CID54999147
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1N(C)CC(O)COC
InChIInChI=1S/C13H20N2O4/c1-4-19-13(17)11-6-5-7-14-12(11)15(2)8-10(16)9-18-3/h5-7,10,16H,4,8-9H2,1-3H3
InChIKeyRBRVMQXHYWFIGZ-UHFFFAOYSA-N
XLogP0.70
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 62819083
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 54993522
ethyl 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridine-3-carboxylate
CID 106186512
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
3-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridazine-4-carbothioamide
CID 80511296
ethyl 4-amino-3-[(2-hydroxy-3-methoxypropyl)-methylamino]benzoate
CID 82785489

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate (CID 54999147) is ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1N(C)CC(O)COC.
What is the InChIKey of ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate?
The InChIKey is RBRVMQXHYWFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-19-13(17)11-6-5-7-14-12(11)15(2)8-10(16)9-18-3/h5-7,10,16H,4,8-9H2,1-3H3.
What are the key properties of ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate?
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 54999147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).