(E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C19H15F3N4O — CID 38772487

IUPAC(E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)16-3-1-2-14(10-16)5-7-18(27)25-12-15-4-6-17(24-11-15)26-9-8-23-13-26/h1-11,13H,12H2,(H,25,27)/b7-5+
InChIKeyYSICDFANVVYJCU-FNORWQNLSA-N
MW372.35 g/mol
LogP3.62
Rot. Bonds5

About (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 38772487) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID38772487
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name(E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)16-3-1-2-14(10-16)5-7-18(27)25-12-15-4-6-17(24-11-15)26-9-8-23-13-26/h1-11,13H,12H2,(H,25,27)/b7-5+
InChIKeyYSICDFANVVYJCU-FNORWQNLSA-N
XLogP3.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 55747042
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9303701
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
(E)-3-pyridin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 38108420
N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3641160
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 68509262
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylbutan-2-yl)urea
CID 56783628
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011
(E)-N-[[4-[(4-methylmorpholin-4-ium-4-yl)methyl]phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide iodide
CID 87479388
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 167970447
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 38772487) is (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccc(-n2ccnc2)nc1.
What is the InChIKey of (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is YSICDFANVVYJCU-FNORWQNLSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)16-3-1-2-14(10-16)5-7-18(27)25-12-15-4-6-17(24-11-15)26-9-8-23-13-26/h1-11,13H,12H2,(H,25,27)/b7-5+.
What are the key properties of (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 372.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 38772487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).