(E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide

C19H20N2O4 — CID 20701386

IUPAC(E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESCC(=O)COc1cccc(C(O)CNC(=O)/C=C/c2cccnc2)c1
InChIInChI=1S/C19H20N2O4/c1-14(22)13-25-17-6-2-5-16(10-17)18(23)12-21-19(24)8-7-15-4-3-9-20-11-15/h2-11,18,23H,12-13H2,1H3,(H,21,24)/b8-7+
InChIKeyJCGAPCWFDNAPFJ-BQYQJAHWSA-N
MW340.38 g/mol
LogP1.91
Rot. Bonds8

About (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 20701386) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID20701386
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESCC(=O)COc1cccc(C(O)CNC(=O)/C=C/c2cccnc2)c1
InChIInChI=1S/C19H20N2O4/c1-14(22)13-25-17-6-2-5-16(10-17)18(23)12-21-19(24)8-7-15-4-3-9-20-11-15/h2-11,18,23H,12-13H2,1H3,(H,21,24)/b8-7+
InChIKeyJCGAPCWFDNAPFJ-BQYQJAHWSA-N
XLogP1.91
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701411
(E)-N-[(2S)-2-phenoxypropyl]-3-pyridin-3-ylprop-2-enamide
CID 95378350
(E)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 11267400
(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701388
2-[(3-pyridin-3-ylprop-2-enoylamino)methyl]butanoic acid
CID 77061172
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
(E)-N-[2-(1,3-benzothiazol-2-yl)propyl]-3-pyridin-3-ylprop-2-enamide
CID 86858241
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide (CID 20701386) is (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide is CC(=O)COc1cccc(C(O)CNC(=O)/C=C/c2cccnc2)c1.
What is the InChIKey of (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is JCGAPCWFDNAPFJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14(22)13-25-17-6-2-5-16(10-17)18(23)12-21-19(24)8-7-15-4-3-9-20-11-15/h2-11,18,23H,12-13H2,1H3,(H,21,24)/b8-7+.
What are the key properties of (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 340.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 20701386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).