3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide

C17H12F6N2O2 — CID 71888429

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide
SMILESCn1cc(NC(=O)C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C17H12F6N2O2/c1-25-9-13(3-5-15(25)27)24-14(26)4-2-10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-9H,1H3,(H,24,26)
InChIKeyURXAKJBWQXMWJB-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.07
Rot. Bonds3

About 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide

3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide (PubChem CID 71888429) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide
PubChem CID71888429
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide
SMILESCn1cc(NC(=O)C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1=O
InChIInChI=1S/C17H12F6N2O2/c1-25-9-13(3-5-15(25)27)24-14(26)4-2-10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-9H,1H3,(H,24,26)
InChIKeyURXAKJBWQXMWJB-UHFFFAOYSA-N
XLogP4.07
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(4-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide
CID 115343196
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 7926539
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085
2-hydroxy-N-(1-methyl-6-oxo-3-pyridinyl)-2,2-diphenylacetamide
CID 110901708
(E)-3-[3,5-bis(trifluoromethyl)phenyl]-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 75364057
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
(E)-3-(4-aminophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 84553251
(E)-3-(3-chlorophenyl)-N-(1-ethyl-6-oxo-3-pyridinyl)prop-2-enamide
CID 47048971
(E)-N-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957160
2-methyl-N-[4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]propanamide
CID 26679746

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide (CID 71888429) is 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide is Cn1cc(NC(=O)C=Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1=O.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide?
The InChIKey is URXAKJBWQXMWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c1-25-9-13(3-5-15(25)27)24-14(26)4-2-10-6-11(16(18,19)20)8-12(7-10)17(21,22)23/h2-9H,1H3,(H,24,26).
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide?
3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide has a molecular weight of 390.28 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-N-(1-methyl-6-oxo-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 71888429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).