3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C15H13FN2O — CID 869020

IUPAC3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C15H13FN2O/c16-13-7-4-12(5-8-13)6-9-15(19)18-11-14-3-1-2-10-17-14/h1-10H,11H2,(H,18,19)
InChIKeyCNAPUPUVSAZQCN-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.55
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 869020) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID869020
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C15H13FN2O/c16-13-7-4-12(5-8-13)6-9-15(19)18-11-14-3-1-2-10-17-14/h1-10H,11H2,(H,18,19)
InChIKeyCNAPUPUVSAZQCN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 869020) is 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is O=C(C=Cc1ccc(F)cc1)NCc1ccccn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is CNAPUPUVSAZQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c16-13-7-4-12(5-8-13)6-9-15(19)18-11-14-3-1-2-10-17-14/h1-10H,11H2,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 256.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 869020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).