ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate

C18H22N2O3 — CID 111448145

IUPACethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(CCCO)c2ccccc2)nc1
InChIInChI=1S/C18H22N2O3/c1-2-23-18(22)15-10-11-17(19-13-15)20-16(9-6-12-21)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16,21H,2,6,9,12H2,1H3,(H,19,20)
InChIKeyZASZAUXURPLAMF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.18
Rot. Bonds8

About ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate

ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate (PubChem CID 111448145) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate
PubChem CID111448145
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nameethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NC(CCCO)c2ccccc2)nc1
InChIInChI=1S/C18H22N2O3/c1-2-23-18(22)15-10-11-17(19-13-15)20-16(9-6-12-21)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16,21H,2,6,9,12H2,1H3,(H,19,20)
InChIKeyZASZAUXURPLAMF-UHFFFAOYSA-N
XLogP3.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
CID 115578365
ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
ethyl 6-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylate
CID 61065618
ethyl 6-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]amino]pyridine-3-carboxylate
CID 95592424
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyridine-3-carboxylate
CID 31536134
ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
3-[(5-methyl-2-pyridinyl)amino]-1,3-diphenylpropan-1-one
CID 14936528
ethyl 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-3-carboxylate
CID 61064211
ethyl 4-(1-hydrazinylpentyl)benzoate
CID 58856235

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate (CID 111448145) is ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NC(CCCO)c2ccccc2)nc1.
What is the InChIKey of ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate?
The InChIKey is ZASZAUXURPLAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-23-18(22)15-10-11-17(19-13-15)20-16(9-6-12-21)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,16,21H,2,6,9,12H2,1H3,(H,19,20).
What are the key properties of ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate?
ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 111448145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).