(Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide

C15H15FN4O — CID 94100089

IUPAC(Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc(F)cc1)NCCNc1cnccn1
InChIInChI=1S/C15H15FN4O/c16-13-4-1-12(2-5-13)3-6-15(21)20-10-9-19-14-11-17-7-8-18-14/h1-8,11H,9-10H2,(H,18,19)(H,20,21)/b6-3-
InChIKeyUZWQTJHBKVJODZ-UTCJRWHESA-N
MW286.31 g/mol
LogP1.86
Rot. Bonds6

About (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide

(Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide (PubChem CID 94100089) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide
PubChem CID94100089
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name(Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide
SMILESO=C(/C=C\c1ccc(F)cc1)NCCNc1cnccn1
InChIInChI=1S/C15H15FN4O/c16-13-4-1-12(2-5-13)3-6-15(21)20-10-9-19-14-11-17-7-8-18-14/h1-8,11H,9-10H2,(H,18,19)(H,20,21)/b6-3-
InChIKeyUZWQTJHBKVJODZ-UTCJRWHESA-N
XLogP1.86
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-3-(4-bromophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide
CID 47026828
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-3-(4-fluorophenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 108932622
(E)-3-(4-fluorophenyl)-N-[2-(4-nitroanilino)ethyl]prop-2-enamide
CID 9308502
(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one
CID 146001170
(E)-N-[2-(cyclopropylamino)ethyl]-3-(4-fluorophenyl)prop-2-enamide
CID 55100390
(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide
CID 28903698
3-(4-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 77044250
(E)-3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 56826676
(E)-N-(2-tert-butylsulfonylethyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75407386
(E)-3-(4-fluorophenyl)-N-prop-2-enylprop-2-enamide
CID 6143200

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide?
The IUPAC name of (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide (CID 94100089) is (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide is O=C(/C=C\c1ccc(F)cc1)NCCNc1cnccn1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide?
The InChIKey is UZWQTJHBKVJODZ-UTCJRWHESA-N. The full InChI is InChI=1S/C15H15FN4O/c16-13-4-1-12(2-5-13)3-6-15(21)20-10-9-19-14-11-17-7-8-18-14/h1-8,11H,9-10H2,(H,18,19)(H,20,21)/b6-3-.
What are the key properties of (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide?
(Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide has a molecular weight of 286.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 94100089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).