(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide

C16H16FN3O2 — CID 28903698

IUPAC(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(NCCO)nc1
InChIInChI=1S/C16H16FN3O2/c17-13-4-1-12(2-5-13)3-8-16(22)20-14-6-7-15(19-11-14)18-9-10-21/h1-8,11,21H,9-10H2,(H,18,19)(H,20,22)/b8-3+
InChIKeyKHTUBIBHIMGEFT-FPYGCLRLSA-N
MW301.32 g/mol
LogP2.28
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide (PubChem CID 28903698) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide
PubChem CID28903698
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(NCCO)nc1
InChIInChI=1S/C16H16FN3O2/c17-13-4-1-12(2-5-13)3-8-16(22)20-14-6-7-15(19-11-14)18-9-10-21/h1-8,11,21H,9-10H2,(H,18,19)(H,20,22)/b8-3+
InChIKeyKHTUBIBHIMGEFT-FPYGCLRLSA-N
XLogP2.28
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-phenylprop-2-enamide
CID 28903711
(E)-N-[6-(3-hydroxypropylamino)-3-pyridinyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28901940
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903424
(Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide
CID 94100089
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
(E)-N-(1,3-dioxoisoindol-5-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17172115
(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 28867683
(E)-N-[4-(cyanomethyl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9193784

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide (CID 28903698) is (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccc(NCCO)nc1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide?
The InChIKey is KHTUBIBHIMGEFT-FPYGCLRLSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-4-1-12(2-5-13)3-8-16(22)20-14-6-7-15(19-11-14)18-9-10-21/h1-8,11,21H,9-10H2,(H,18,19)(H,20,22)/b8-3+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide has a molecular weight of 301.32 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 28903698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).