ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate

C17H20N2O2 — CID 115578365

IUPACethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)c2ccccc2)nc1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)15-9-10-16(19-12-15)18-11-13(2)14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3,(H,18,19)
InChIKeyLURUDAMIZFOXDL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.47
Rot. Bonds6

About ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate

ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate (PubChem CID 115578365) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
PubChem CID115578365
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Nameethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCC(C)c2ccccc2)nc1
InChIInChI=1S/C17H20N2O2/c1-3-21-17(20)15-9-10-16(19-12-15)18-11-13(2)14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3,(H,18,19)
InChIKeyLURUDAMIZFOXDL-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(2-methylbutylamino)pyridine-3-carboxylate
CID 55108410
ethyl 6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 61362810
ethyl 6-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyridine-3-carboxylate
CID 31536134
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
ethyl 6-[(4-hydroxy-1-phenylbutyl)amino]pyridine-3-carboxylate
CID 111448145
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 6-[[2-(methylamino)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 43243884
1-[[(5-ethoxycarbonyl-2-pyridinyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450434
ethyl 4-[[6-(benzylamino)pyridine-3-carbonyl]amino]benzoate
CID 109155551
5-tert-butyl-N-(2-phenylpropyl)pyridin-2-amine
CID 107874865
ethyl 4-[[5-(1-phenylethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109256458

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate (CID 115578365) is ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate is CCOC(=O)c1ccc(NCC(C)c2ccccc2)nc1.
What is the InChIKey of ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate?
The InChIKey is LURUDAMIZFOXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-17(20)15-9-10-16(19-12-15)18-11-13(2)14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3,(H,18,19).
What are the key properties of ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate?
ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate is sourced from PubChem (CID 115578365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).