N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide

C25H25FN2O3 — CID 163576375

IUPACN-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cccc(Oc2ccc(C)cc2F)c1-c1cc(CC)c(=O)n(C)c1
InChIInChI=1S/C25H25FN2O3/c1-5-17-13-19(15-28(4)25(17)30)24-18(14-27-23(29)6-2)8-7-9-22(24)31-21-11-10-16(3)12-20(21)26/h6-13,15H,2,5,14H2,1,3-4H3,(H,27,29)
InChIKeyUBFATTSGINBOHK-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.66
Rot. Bonds7

About N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide

N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide (PubChem CID 163576375) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide
PubChem CID163576375
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC NameN-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cccc(Oc2ccc(C)cc2F)c1-c1cc(CC)c(=O)n(C)c1
InChIInChI=1S/C25H25FN2O3/c1-5-17-13-19(15-28(4)25(17)30)24-18(14-27-23(29)6-2)8-7-9-22(24)31-21-11-10-16(3)12-20(21)26/h6-13,15H,2,5,14H2,1,3-4H3,(H,27,29)
InChIKeyUBFATTSGINBOHK-UHFFFAOYSA-N
XLogP4.66
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide with MolForge

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Related Compounds

N-[4-(2-fluoro-4-methylphenoxy)-3-[1-methyl-5-(4-methyl-2-oxopentyl)-6-oxo-3-pyridinyl]phenyl]prop-2-enamide
CID 163934488
N-[4-(2-fluoro-4-methylphenoxy)-3-[1-methyl-6-oxo-5-(2-oxopropyl)-3-pyridinyl]phenyl]ethenesulfonamide
CID 163760302
2-cyano-N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2-fluoro-4-methylphenoxy)phenyl]prop-2-enamide
CID 163756529
6-[2-(2,4-difluorophenoxy)-6-(2-oxobut-3-enyl)phenyl]-4-ethyl-2-methylpyridazin-3-one
CID 159835166
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-[(2-fluoro-4-methylphenyl)methyl]phenyl]-N-methylprop-2-enamide
CID 163874635
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(3-methylphenoxy)phenyl]ethenesulfonamide
CID 162120668
N-[3-(2,4-difluorophenoxy)-2-[1-methyl-5-(methylamino)-6-oxopyridazin-3-yl]phenyl]prop-2-enamide
CID 146575622
4-[2-[(2-fluoro-4-methylphenyl)methyl]-6-(2-oxobut-3-enyl)phenyl]-2-methylisoquinolin-1-one
CID 163789758
1-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]pyrrole-2,5-dione
CID 158518306
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2,4,6-trimethylphenoxy)phenyl]ethenesulfonamide
CID 163782057
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide (CID 163576375) is N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1cccc(Oc2ccc(C)cc2F)c1-c1cc(CC)c(=O)n(C)c1.
What is the InChIKey of N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide?
The InChIKey is UBFATTSGINBOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-5-17-13-19(15-28(4)25(17)30)24-18(14-27-23(29)6-2)8-7-9-22(24)31-21-11-10-16(3)12-20(21)26/h6-13,15H,2,5,14H2,1,3-4H3,(H,27,29).
What are the key properties of N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide?
N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide has a molecular weight of 420.48 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-3-(2-fluoro-4-methylphenoxy)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 163576375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).