ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate

C12H18N2O3 — CID 61362810

IUPACethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)CO)nc1
InChIInChI=1S/C12H18N2O3/c1-3-17-12(16)10-4-5-11(14-7-10)13-6-9(2)8-15/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,13,14)
InChIKeyIAWRTZFBEBNLQP-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.30
Rot. Bonds6

About ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate

ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate (PubChem CID 61362810) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
PubChem CID61362810
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)CO)nc1
InChIInChI=1S/C12H18N2O3/c1-3-17-12(16)10-4-5-11(14-7-10)13-6-9(2)8-15/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,13,14)
InChIKeyIAWRTZFBEBNLQP-UHFFFAOYSA-N
XLogP1.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
CID 115578365
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyridine-3-carboxylate
CID 31536134
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-[(4-ethylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63541483

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate (CID 61362810) is ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC(C)CO)nc1.
What is the InChIKey of ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate?
The InChIKey is IAWRTZFBEBNLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-12(16)10-4-5-11(14-7-10)13-6-9(2)8-15/h4-5,7,9,15H,3,6,8H2,1-2H3,(H,13,14).
What are the key properties of ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate?
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 61362810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).