[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate

C16H15FN2O3 — CID 7783610

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c17-14-3-1-12(2-4-14)5-10-19-15(20)11-22-16(21)13-6-8-18-9-7-13/h1-4,6-9H,5,10-11H2,(H,19,20)
InChIKeyGFGQZMHSSLJLPW-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.74
Rot. Bonds6

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 7783610) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
PubChem CID7783610
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)NCCc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c17-14-3-1-12(2-4-14)5-10-19-15(20)11-22-16(21)13-6-8-18-9-7-13/h1-4,6-9H,5,10-11H2,(H,19,20)
InChIKeyGFGQZMHSSLJLPW-UHFFFAOYSA-N
XLogP1.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] pyridine-4-carboxylate
CID 3483038
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8791703
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-tert-butylbenzoate
CID 7500839
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2357999
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2364423
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7478174
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2554943
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8914898
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 18074324
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722923

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate (CID 7783610) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate is O=C(COC(=O)c1ccncc1)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is GFGQZMHSSLJLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-14-3-1-12(2-4-14)5-10-19-15(20)11-22-16(21)13-6-8-18-9-7-13/h1-4,6-9H,5,10-11H2,(H,19,20).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 302.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 7783610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).