(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide

C15H16N2O4 — CID 97428878

IUPAC(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC[C@H](O)Cn1ccccc1=O
InChIInChI=1S/C15H16N2O4/c18-12(11-17-8-2-1-5-15(17)20)10-16-14(19)7-6-13-4-3-9-21-13/h1-9,12,18H,10-11H2,(H,16,19)/b7-6+/t12-/m0/s1
InChIKeyJWAFWNKGABFMRJ-SYTKJHMZSA-N
MW288.30 g/mol
LogP0.63
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide (PubChem CID 97428878) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide
PubChem CID97428878
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC[C@H](O)Cn1ccccc1=O
InChIInChI=1S/C15H16N2O4/c18-12(11-17-8-2-1-5-15(17)20)10-16-14(19)7-6-13-4-3-9-21-13/h1-9,12,18H,10-11H2,(H,16,19)/b7-6+/t12-/m0/s1
InChIKeyJWAFWNKGABFMRJ-SYTKJHMZSA-N
XLogP0.63
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide with MolForge

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Related Compounds

(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
CID 90624837
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 90624946
3-[3-(furan-2-yl)prop-2-enoylamino]-2-hydroxypropanoic acid
CID 77113675
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 90624845
(E)-3-(furan-2-yl)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 97106207
(E)-3-(furan-2-yl)-N-[3-(furan-3-yl)-3-hydroxypropyl]prop-2-enamide
CID 71804398
(E)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(furan-2-yl)prop-2-enamide
CID 7721839
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxyethyl]-3-(furan-2-yl)prop-2-enamide
CID 171139195
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-3-(furan-2-yl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]prop-2-enamide
CID 124843648

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide (CID 97428878) is (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide is O=C(/C=C/c1ccco1)NC[C@H](O)Cn1ccccc1=O.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide?
The InChIKey is JWAFWNKGABFMRJ-SYTKJHMZSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-12(11-17-8-2-1-5-15(17)20)10-16-14(19)7-6-13-4-3-9-21-13/h1-9,12,18H,10-11H2,(H,16,19)/b7-6+/t12-/m0/s1.
What are the key properties of (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide has a molecular weight of 288.30 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]prop-2-enamide is sourced from PubChem (CID 97428878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).