ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate

C16H17FN2O2 — CID 30059064

IUPACethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C16H17FN2O2/c1-2-21-16(20)13-5-8-15(19-11-13)18-10-9-12-3-6-14(17)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,18,19)
InChIKeyMHOKLXQGNXHFPX-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.05
Rot. Bonds6

About ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate

ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate (PubChem CID 30059064) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
PubChem CID30059064
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Nameethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C16H17FN2O2/c1-2-21-16(20)13-5-8-15(19-11-13)18-10-9-12-3-6-14(17)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,18,19)
InChIKeyMHOKLXQGNXHFPX-UHFFFAOYSA-N
XLogP3.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
ethyl 6-[(3-amino-3-oxopropyl)amino]pyridine-3-carboxylate
CID 43532828
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
ethyl 6-(4,4,4-trifluorobutylamino)pyridine-3-carboxylate
CID 79040244
ethyl 6-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylate
CID 62048016
ethyl 6-(2,2-dimethylpropylamino)pyridine-3-carboxylate
CID 61166664
ethyl 6-[[3-(diethylamino)-3-oxopropyl]amino]pyridine-3-carboxylate
CID 60926074
N-[2-(4-fluorophenyl)ethyl]-6-(pentylamino)pyridine-3-carboxamide
CID 109158696
N-[4-(dimethylamino)phenyl]-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158671
ethyl 4-[[2-(4-fluorophenyl)ethylcarbamoylamino]methyl]benzoate
CID 108902202
N-cycloheptyl-6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109158626
6-[3-(dimethylamino)propylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109154237

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate (CID 30059064) is ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate is CCOC(=O)c1ccc(NCCc2ccc(F)cc2)nc1.
What is the InChIKey of ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate?
The InChIKey is MHOKLXQGNXHFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-21-16(20)13-5-8-15(19-11-13)18-10-9-12-3-6-14(17)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,18,19).
What are the key properties of ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate?
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 30059064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).