(E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide

C17H19FN2O2 — CID 130329420

IUPAC(E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide
SMILESC=C(/C=C(\C=C/C)NC(=O)/C=C/c1cccnc1)OCCF
InChIInChI=1S/C17H19FN2O2/c1-3-5-16(12-14(2)22-11-9-18)20-17(21)8-7-15-6-4-10-19-13-15/h3-8,10,12-13H,2,9,11H2,1H3,(H,20,21)/b5-3-,8-7+,16-12+
InChIKeyOSMGICQMXGNSFL-WLLWJARFSA-N
MW302.35 g/mol
LogP3.17
Rot. Bonds8

About (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 130329420) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide
PubChem CID130329420
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide
SMILESC=C(/C=C(\C=C/C)NC(=O)/C=C/c1cccnc1)OCCF
InChIInChI=1S/C17H19FN2O2/c1-3-5-16(12-14(2)22-11-9-18)20-17(21)8-7-15-6-4-10-19-13-15/h3-8,10,12-13H,2,9,11H2,1H3,(H,20,21)/b5-3-,8-7+,16-12+
InChIKeyOSMGICQMXGNSFL-WLLWJARFSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide with MolForge

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Related Compounds

N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
propyl 3-pyridin-3-ylprop-2-enoate
CID 3752856
(E)-N-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylprop-2-enamide
CID 113343229
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
N-(2-hydroxy-1-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 76988075
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148246
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide (CID 130329420) is (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide is C=C(/C=C(\C=C/C)NC(=O)/C=C/c1cccnc1)OCCF.
What is the InChIKey of (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is OSMGICQMXGNSFL-WLLWJARFSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-5-16(12-14(2)22-11-9-18)20-17(21)8-7-15-6-4-10-19-13-15/h3-8,10,12-13H,2,9,11H2,1H3,(H,20,21)/b5-3-,8-7+,16-12+.
What are the key properties of (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 302.35 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3E,5Z)-2-(2-fluoroethoxy)hepta-1,3,5-trien-4-yl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 130329420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).