(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

C15H13FN2O — CID 790889

IUPAC(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCc1cccnc1
InChIInChI=1S/C15H13FN2O/c16-14-6-3-12(4-7-14)5-8-15(19)18-11-13-2-1-9-17-10-13/h1-10H,11H2,(H,18,19)/b8-5+
InChIKeyHXSXTDNPFWAZQI-VMPITWQZSA-N
MW256.28 g/mol
LogP2.55
Rot. Bonds4

About (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 790889) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID790889
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCc1cccnc1
InChIInChI=1S/C15H13FN2O/c16-14-6-3-12(4-7-14)5-8-15(19)18-11-13-2-1-9-17-10-13/h1-10H,11H2,(H,18,19)/b8-5+
InChIKeyHXSXTDNPFWAZQI-VMPITWQZSA-N
XLogP2.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 26591286
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
(E)-3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 56826676
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethylcarbamothioyl)prop-2-enamide
CID 960092
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 5049384
(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 99996359
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 17171986
(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 38108420

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 790889) is (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCc1cccnc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is HXSXTDNPFWAZQI-VMPITWQZSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-14-6-3-12(4-7-14)5-8-15(19)18-11-13-2-1-9-17-10-13/h1-10H,11H2,(H,18,19)/b8-5+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 256.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 790889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).