[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate

C19H16N2O4 — CID 51687864

IUPAC[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
SMILESO=C(O[C@@H](C(=O)NCc1ccccc1)c1cccnc1)c1ccco1
InChIInChI=1S/C19H16N2O4/c22-18(21-12-14-6-2-1-3-7-14)17(15-8-4-10-20-13-15)25-19(23)16-9-5-11-24-16/h1-11,13,17H,12H2,(H,21,22)/t17-/m1/s1
InChIKeyIXCGFDBOADEYMS-QGZVFWFLSA-N
MW336.35 g/mol
LogP2.89
Rot. Bonds6

About [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate

[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate (PubChem CID 51687864) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
PubChem CID51687864
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
SMILESO=C(O[C@@H](C(=O)NCc1ccccc1)c1cccnc1)c1ccco1
InChIInChI=1S/C19H16N2O4/c22-18(21-12-14-6-2-1-3-7-14)17(15-8-4-10-20-13-15)25-19(23)16-9-5-11-24-16/h1-11,13,17H,12H2,(H,21,22)/t17-/m1/s1
InChIKeyIXCGFDBOADEYMS-QGZVFWFLSA-N
XLogP2.89
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 51508279
[(1R)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 1431793
[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 43817592
[2-(benzylamino)-1-(2-fluorophenyl)-2-oxoethyl] furan-2-carboxylate
CID 24792279
[1-(benzylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 647241
[(1R)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1470080
[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1432029
[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 95616020
N-[3-(benzylamino)-1-(furan-2-yl)-3-oxo-2-pyridin-3-ylpropyl]pyridine-2-carboxamide
CID 22298699
[1-(4-fluorophenyl)-2-oxo-2-(thiophen-2-ylmethylamino)ethyl] furan-2-carboxylate
CID 648857
3-(furan-2-carbonylamino)-3-pyridin-3-ylpropanoic acid
CID 82090064

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate?
The IUPAC name of [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate (CID 51687864) is [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate.
What is the SMILES notation for [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate?
The canonical SMILES for [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate is O=C(O[C@@H](C(=O)NCc1ccccc1)c1cccnc1)c1ccco1.
What is the InChIKey of [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate?
The InChIKey is IXCGFDBOADEYMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-18(21-12-14-6-2-1-3-7-14)17(15-8-4-10-20-13-15)25-19(23)16-9-5-11-24-16/h1-11,13,17H,12H2,(H,21,22)/t17-/m1/s1.
What are the key properties of [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate?
[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate is sourced from PubChem (CID 51687864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).