N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide

C13H15FN2O2 — CID 166431122

IUPACN-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCc1c(C)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H15FN2O2/c1-7-5-11(9-3-4-9)16-13(18)10(7)6-15-12(17)8(2)14/h5,9H,2-4,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyUMHRTMLWCLGKAH-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.66
Rot. Bonds4

About N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide

N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide (PubChem CID 166431122) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide
PubChem CID166431122
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NCc1c(C)cc(C2CC2)[nH]c1=O
InChIInChI=1S/C13H15FN2O2/c1-7-5-11(9-3-4-9)16-13(18)10(7)6-15-12(17)8(2)14/h5,9H,2-4,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyUMHRTMLWCLGKAH-UHFFFAOYSA-N
XLogP1.66
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
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 N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide?
The IUPAC name of N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide (CID 166431122) is N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide.
What is the SMILES notation for N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide?
The canonical SMILES for N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide is C=C(F)C(=O)NCc1c(C)cc(C2CC2)[nH]c1=O.
What is the InChIKey of N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide?
The InChIKey is UMHRTMLWCLGKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-7-5-11(9-3-4-9)16-13(18)10(7)6-15-12(17)8(2)14/h5,9H,2-4,6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide?
N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide has a molecular weight of 250.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropyl-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-fluoroprop-2-enamide is sourced from PubChem (CID 166431122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).