N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide

C26H26FN3O3 — CID 146574285

IUPACN-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESC=CC(=O)c1ccc(Nc2c(C)cc(F)cc2C)c(-c2cc(C(=O)NCC)c(=O)n(C)c2)c1
InChIInChI=1S/C26H26FN3O3/c1-6-23(31)17-8-9-22(29-24-15(3)10-19(27)11-16(24)4)20(12-17)18-13-21(25(32)28-7-2)26(33)30(5)14-18/h6,8-14,29H,1,7H2,2-5H3,(H,28,32)
InChIKeyUGVLPQBSCJCJLJ-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.67
Rot. Bonds7

About N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide

N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 146574285) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID146574285
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC NameN-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESC=CC(=O)c1ccc(Nc2c(C)cc(F)cc2C)c(-c2cc(C(=O)NCC)c(=O)n(C)c2)c1
InChIInChI=1S/C26H26FN3O3/c1-6-23(31)17-8-9-22(29-24-15(3)10-19(27)11-16(24)4)20(12-17)18-13-21(25(32)28-7-2)26(33)30(5)14-18/h6,8-14,29H,1,7H2,2-5H3,(H,28,32)
InChIKeyUGVLPQBSCJCJLJ-UHFFFAOYSA-N
XLogP4.67
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylanilino)phenyl]-N-ethyl-6-methyl-7-oxofuro[2,3-c]pyridine-2-carboxamide
CID 146575638
5-[5-(ethenylsulfonylamino)-2-(2,4,6-trimethylphenoxy)phenyl]-N-ethyl-1-methyl-2-oxopyridine-3-carboxamide
CID 163873125
N-[4-(4-fluoro-2,6-dimethylanilino)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]prop-2-ynamide
CID 146575659
1-[4-(2-methyl-4-prop-2-enoylphenyl)phenyl]prop-2-en-1-one
CID 141321542
3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
CID 82993340
1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 23587807
6-[5-(ethenylsulfonylamino)-2-(4-fluoro-2,6-dimethylphenoxy)phenyl]-N-ethyl-2-methyl-3-oxopyridazine-4-carboxamide
CID 146575621
N-[4-(2,6-dimethylanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-ynamide
CID 146575656
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-[(2-fluoro-4-methylphenyl)methyl]phenyl]-N-methylprop-2-enamide
CID 163874635
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
N-(4-fluoro-2-methylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9426235
5-ethenyl-N-ethyl-2-methylbenzamide
CID 154815188

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 146574285) is N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide is C=CC(=O)c1ccc(Nc2c(C)cc(F)cc2C)c(-c2cc(C(=O)NCC)c(=O)n(C)c2)c1.
What is the InChIKey of N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is UGVLPQBSCJCJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-6-23(31)17-8-9-22(29-24-15(3)10-19(27)11-16(24)4)20(12-17)18-13-21(25(32)28-7-2)26(33)30(5)14-18/h6,8-14,29H,1,7H2,2-5H3,(H,28,32).
What are the key properties of N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[2-(4-fluoro-2,6-dimethylanilino)-5-prop-2-enoylphenyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 146574285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).