2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide

C12H15FN2O — CID 164593850

IUPAC2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide
SMILESC=C(C(=O)NC)N1C=CC(C)=C(F)/C1=C/C
InChIInChI=1S/C12H15FN2O/c1-5-10-11(13)8(2)6-7-15(10)9(3)12(16)14-4/h5-7H,3H2,1-2,4H3,(H,14,16)/b10-5-
InChIKeyJMXSNUOFIHFUEH-YHYXMXQVSA-N
MW222.26 g/mol
LogP2.22
Rot. Bonds2

About 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide

2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide (PubChem CID 164593850) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide
PubChem CID164593850
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide
SMILESC=C(C(=O)NC)N1C=CC(C)=C(F)/C1=C/C
InChIInChI=1S/C12H15FN2O/c1-5-10-11(13)8(2)6-7-15(10)9(3)12(16)14-4/h5-7H,3H2,1-2,4H3,(H,14,16)/b10-5-
InChIKeyJMXSNUOFIHFUEH-YHYXMXQVSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.22
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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Related Compounds

3-Amino-4-methylpyridin-2-ol
CID 18672168
3-Amino-1,4-dimethyl-1,2-dihydropyridin-2-one
CID 71755629
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
N-methyl-2-oxo-2-[4-(trifluoromethyl)-2H-pyridin-1-yl]acetamide
CID 118697720
N-[5-(fluoromethyl)-2-oxo-1H-pyridin-3-yl]acetamide
CID 132053361
1-[(1E,3Z)-1-fluoro-4-(methylamino)buta-1,3-dien-2-yl]-5-methylpyridin-2-one
CID 144094428
3-(2,2-Difluoropropylamino)-4-methyl-1-propan-2-ylpyridin-2-one
CID 159723529
4-Methyl-1-propan-2-yl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
CID 165387444
1-Ethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
CID 166840036
1,4-Dimethyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
CID 166893282
1-Methyl-3-(2,2,2-trifluoroethylamino)pyridin-2-one
CID 166893286
4-methyl-3-(2,2,2-trifluoroethylamino)-1H-pyridin-2-one
CID 166893458

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide?
The IUPAC name of 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide (CID 164593850) is 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide.
What is the SMILES notation for 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide?
The canonical SMILES for 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide is C=C(C(=O)NC)N1C=CC(C)=C(F)/C1=C/C.
What is the InChIKey of 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide?
The InChIKey is JMXSNUOFIHFUEH-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-5-10-11(13)8(2)6-7-15(10)9(3)12(16)14-4/h5-7H,3H2,1-2,4H3,(H,14,16)/b10-5-.
What are the key properties of 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide?
2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide has a molecular weight of 222.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-ethylidene-3-fluoro-4-methyl-1-pyridinyl]-N-methylprop-2-enamide is sourced from PubChem (CID 164593850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).