(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

C20H20F3N3O3 — CID 39568621

IUPAC(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1OC(F)(F)F)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)29-17-6-2-1-4-15(17)7-8-18(27)25-14-16-5-3-9-24-19(16)26-10-12-28-13-11-26/h1-9H,10-14H2,(H,25,27)/b8-7+
InChIKeyJBZACHYNZRPISH-BQYQJAHWSA-N
MW407.39 g/mol
LogP3.15
Rot. Bonds6

About (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 39568621) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID39568621
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1OC(F)(F)F)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C20H20F3N3O3/c21-20(22,23)29-17-6-2-1-4-15(17)7-8-18(27)25-14-16-5-3-9-24-19(16)26-10-12-28-13-11-26/h1-9H,10-14H2,(H,25,27)/b8-7+
InChIKeyJBZACHYNZRPISH-BQYQJAHWSA-N
XLogP3.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 39248673
(E)-3-(2,5-dichlorophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 37489406
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 86927668
3-(2-methoxyphenyl)-N-(2-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 76869548
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]prop-2-enamide
CID 46598669
3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide
CID 55990563
(E)-N-[(2-morpholin-4-ylphenyl)methyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 42636168
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 35390128
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
(E)-3-[2-(difluoromethoxy)phenyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 37152698

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide (CID 39568621) is (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1OC(F)(F)F)NCc1cccnc1N1CCOCC1.
What is the InChIKey of (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is JBZACHYNZRPISH-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c21-20(22,23)29-17-6-2-1-4-15(17)7-8-18(27)25-14-16-5-3-9-24-19(16)26-10-12-28-13-11-26/h1-9H,10-14H2,(H,25,27)/b8-7+.
What are the key properties of (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 407.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 39568621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).