(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide

C19H16N2O2 — CID 117055113

IUPAC(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccnc(-c2ccco2)c1
InChIInChI=1S/C19H16N2O2/c22-19(9-8-15-5-2-1-3-6-15)21-14-16-10-11-20-17(13-16)18-7-4-12-23-18/h1-13H,14H2,(H,21,22)/b9-8+
InChIKeyGMNTVXNLYYTOKV-CMDGGOBGSA-N
MW304.35 g/mol
LogP3.67
Rot. Bonds5

About (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide

(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide (PubChem CID 117055113) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
PubChem CID117055113
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccnc(-c2ccco2)c1
InChIInChI=1S/C19H16N2O2/c22-19(9-8-15-5-2-1-3-6-15)21-14-16-10-11-20-17(13-16)18-7-4-12-23-18/h1-13H,14H2,(H,21,22)/b9-8+
InChIKeyGMNTVXNLYYTOKV-CMDGGOBGSA-N
XLogP3.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

OL-135
CID 10427006
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-(benzyloxy)phenyl)propane
CID 16735159
3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
5-(4-((Phenethylamino)methyl)phenoxy)picolinamide
CID 44434951
N-Methyl(5-(pyridin-3-YL)furan-2-YL)methanamine
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N-(furan-2-ylmethyl)quinoxaline-6-carboxamide
CID 2978966
N-{2-Furan-2-yl-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 2874943
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(3-(benzyloxy)phenyl)-propane
CID 16735160
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-3-(4-phenoxyphenyl)propane
CID 16735161
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383
7-(4-Aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735384
6-Phenoxy-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hexan-1-one
CID 16735834

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide (CID 117055113) is (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCc1ccnc(-c2ccco2)c1.
What is the InChIKey of (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide?
The InChIKey is GMNTVXNLYYTOKV-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19(9-8-15-5-2-1-3-6-15)21-14-16-10-11-20-17(13-16)18-7-4-12-23-18/h1-13H,14H2,(H,21,22)/b9-8+.
What are the key properties of (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide?
(E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 117055113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).