(E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide

C20H24FN3O — CID 139762542

IUPAC(E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCCNCCCc1ccccn1
InChIInChI=1S/C20H24FN3O/c21-18-10-7-17(8-11-18)9-12-20(25)24-16-4-14-22-13-3-6-19-5-1-2-15-23-19/h1-2,5,7-12,15,22H,3-4,6,13-14,16H2,(H,24,25)/b12-9+
InChIKeyZOIOKXRPHODHJV-FMIVXFBMSA-N
MW341.43 g/mol
LogP2.96
Rot. Bonds10

About (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide (PubChem CID 139762542) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide
PubChem CID139762542
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name(E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)NCCCNCCCc1ccccn1
InChIInChI=1S/C20H24FN3O/c21-18-10-7-17(8-11-18)9-12-20(25)24-16-4-14-22-13-3-6-19-5-1-2-15-23-19/h1-2,5,7-12,15,22H,3-4,6,13-14,16H2,(H,24,25)/b12-9+
InChIKeyZOIOKXRPHODHJV-FMIVXFBMSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
(E)-3-(4-chlorophenyl)-N-[3-(4-fluorophenyl)propyl]prop-2-enamide
CID 99998398
3-(4-hydroxyphenyl)-N-[4-[3-[3-(4-hydroxyphenyl)prop-2-enoylamino]propylamino]butyl]prop-2-enamide
CID 73190496
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
(E)-3-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 886894
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622
3-(4-fluorophenyl)-N-[4-(2-oxo-1-pyridinyl)butyl]prop-2-enamide
CID 103598831
(E)-3-phenyl-N-[3-(pyridin-2-ylsulfonylamino)propyl]prop-2-enamide
CID 10246976
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712
3-(4-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 77044250
3-(4-tert-butylphenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 2929509
(E)-3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 56826676

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide (CID 139762542) is (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)NCCCNCCCc1ccccn1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide?
The InChIKey is ZOIOKXRPHODHJV-FMIVXFBMSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-18-10-7-17(8-11-18)9-12-20(25)24-16-4-14-22-13-3-6-19-5-1-2-15-23-19/h1-2,5,7-12,15,22H,3-4,6,13-14,16H2,(H,24,25)/b12-9+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide has a molecular weight of 341.43 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[3-(3-pyridin-2-ylpropylamino)propyl]prop-2-enamide is sourced from PubChem (CID 139762542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).