(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide

C16H13F3N2O — CID 38108420

IUPAC(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)14-6-3-13(4-7-14)11-21-15(22)8-5-12-2-1-9-20-10-12/h1-10H,11H2,(H,21,22)/b8-5+
InChIKeyONZOMPJQCFRVJC-VMPITWQZSA-N
MW306.29 g/mol
LogP3.43
Rot. Bonds4

About (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide

(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 38108420) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID38108420
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3N2O/c17-16(18,19)14-6-3-13(4-7-14)11-21-15(22)8-5-12-2-1-9-20-10-12/h1-10H,11H2,(H,21,22)/b8-5+
InChIKeyONZOMPJQCFRVJC-VMPITWQZSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.43
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

3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzoic acid
CID 60893874
3-pyridin-3-yl-N-[[4-[2-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]prop-2-enamide
CID 70979571
(E)-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 51092491
3-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
CID 33097751
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
(E)-3-[3-[phenyl-(prop-2-enoylamino)methyl]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 135302446
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9495702
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9303701

Frequently Asked Questions

What is the IUPAC name of (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 38108420) is (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1cccnc1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is ONZOMPJQCFRVJC-VMPITWQZSA-N. The full InChI is InChI=1S/C16H13F3N2O/c17-16(18,19)14-6-3-13(4-7-14)11-21-15(22)8-5-12-2-1-9-20-10-12/h1-10H,11H2,(H,21,22)/b8-5+.
What are the key properties of (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 306.29 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 38108420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).