N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide

C15H13FN2O — CID 53148242

IUPACN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cccnc1-c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c1-2-14(19)18-10-12-4-3-9-17-15(12)11-5-7-13(16)8-6-11/h2-9H,1,10H2,(H,18,19)
InChIKeyYSWGZDPTEUBQAL-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.69
Rot. Bonds4

About N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide

N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide (PubChem CID 53148242) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide
PubChem CID53148242
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC NameN-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1cccnc1-c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c1-2-14(19)18-10-12-4-3-9-17-15(12)11-5-7-13(16)8-6-11/h2-9H,1,10H2,(H,18,19)
InChIKeyYSWGZDPTEUBQAL-UHFFFAOYSA-N
XLogP2.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.69
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 N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide (CID 53148242) is N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide is C=CC(=O)NCc1cccnc1-c1ccc(F)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide?
The InChIKey is YSWGZDPTEUBQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-2-14(19)18-10-12-4-3-9-17-15(12)11-5-7-13(16)8-6-11/h2-9H,1,10H2,(H,18,19).
What are the key properties of N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide?
N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide has a molecular weight of 256.28 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide is sourced from PubChem (CID 53148242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).