(E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide

C20H23FN2O — CID 126660981

IUPAC(E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide
SMILESCCCNC(=O)/C(C)=C(\C)c1cc(F)cc(-c2ccncc2)c1C
InChIInChI=1S/C20H23FN2O/c1-5-8-23-20(24)14(3)13(2)18-11-17(21)12-19(15(18)4)16-6-9-22-10-7-16/h6-7,9-12H,5,8H2,1-4H3,(H,23,24)/b14-13+
InChIKeyRYGKLCHHSYIJIU-BUHFOSPRSA-N
MW326.42 g/mol
LogP4.52
Rot. Bonds5

About (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide

(E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide (PubChem CID 126660981) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide
PubChem CID126660981
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide
SMILESCCCNC(=O)/C(C)=C(\C)c1cc(F)cc(-c2ccncc2)c1C
InChIInChI=1S/C20H23FN2O/c1-5-8-23-20(24)14(3)13(2)18-11-17(21)12-19(15(18)4)16-6-9-22-10-7-16/h6-7,9-12H,5,8H2,1-4H3,(H,23,24)/b14-13+
InChIKeyRYGKLCHHSYIJIU-BUHFOSPRSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide?
The IUPAC name of (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide (CID 126660981) is (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide.
What is the SMILES notation for (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide?
The canonical SMILES for (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide is CCCNC(=O)/C(C)=C(\C)c1cc(F)cc(-c2ccncc2)c1C.
What is the InChIKey of (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide?
The InChIKey is RYGKLCHHSYIJIU-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-5-8-23-20(24)14(3)13(2)18-11-17(21)12-19(15(18)4)16-6-9-22-10-7-16/h6-7,9-12H,5,8H2,1-4H3,(H,23,24)/b14-13+.
What are the key properties of (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide?
(E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide has a molecular weight of 326.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-fluoro-2-methyl-3-pyridin-4-ylphenyl)-2-methyl-N-propylbut-2-enamide is sourced from PubChem (CID 126660981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).