N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide

C10H11FN2O — CID 169172963

IUPACN-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(C)ncc(F)c1C
InChIInChI=1S/C10H11FN2O/c1-4-9(14)13-10-6(2)8(11)5-12-7(10)3/h4-5H,1H2,2-3H3,(H,13,14)
InChIKeyGCSXYCWOVKEISS-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.96
Rot. Bonds2

About N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide

N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide (PubChem CID 169172963) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide
PubChem CID169172963
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC NameN-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(C)ncc(F)c1C
InChIInChI=1S/C10H11FN2O/c1-4-9(14)13-10-6(2)8(11)5-12-7(10)3/h4-5H,1H2,2-3H3,(H,13,14)
InChIKeyGCSXYCWOVKEISS-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.96
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

N-(3-fluoro-2,6-dimethylphenyl)prop-2-enamide
CID 162746987
N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide
CID 151343471
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
5-bromo-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 166405393
N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)prop-2-enamide
CID 136555816
ethane;5-fluoro-2,3,4-trimethylpyridine
CID 177369282
N-[4-(5-chloro-2,4-dimethyl-3-pyridinyl)-1,7-difluoro-3-methylindazol-6-yl]prop-2-enamide
CID 176936789
N-(6-fluoropyrazin-2-yl)prop-2-enamide
CID 167765847
N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681
N-(2,6-dibromophenyl)prop-2-enamide
CID 107598601

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide?
The IUPAC name of N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide (CID 169172963) is N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide?
The canonical SMILES for N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide is C=CC(=O)Nc1c(C)ncc(F)c1C.
What is the InChIKey of N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide?
The InChIKey is GCSXYCWOVKEISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-4-9(14)13-10-6(2)8(11)5-12-7(10)3/h4-5H,1H2,2-3H3,(H,13,14).
What are the key properties of N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide?
N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide has a molecular weight of 194.21 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 169172963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).