3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide

C20H19BrN2O2 — CID 3584852

IUPAC3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)C(=Cc1cccc(Br)c1)n1ccccc1=O
InChIInChI=1S/C20H19BrN2O2/c1-3-11-22(12-4-2)20(25)18(23-13-6-5-10-19(23)24)15-16-8-7-9-17(21)14-16/h3-10,13-15H,1-2,11-12H2
InChIKeyAWOJTEZHGRRNMK-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.81
Rot. Bonds7

About 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide

3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide (PubChem CID 3584852) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
PubChem CID3584852
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
SMILESC=CCN(CC=C)C(=O)C(=Cc1cccc(Br)c1)n1ccccc1=O
InChIInChI=1S/C20H19BrN2O2/c1-3-11-22(12-4-2)20(25)18(23-13-6-5-10-19(23)24)15-16-8-7-9-17(21)14-16/h3-10,13-15H,1-2,11-12H2
InChIKeyAWOJTEZHGRRNMK-UHFFFAOYSA-N
XLogP3.81
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[1-[(E)-3-(3-bromophenyl)prop-2-enyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 89001826
4-[(3-bromophenyl)methyl]-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486883
1-[(E)-3-(3-bromophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 60184705
(3E,6E)-3,6-bis[(3-bromophenyl)methylidene]-1-prop-2-enylpiperazine-2,5-dione
CID 90681676
(E)-1-(4-acetylpiperazin-1-yl)-3-(4-bromophenyl)prop-2-en-1-one
CID 6211966
(Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide
CID 102288400
N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
CID 3457600
N,N-diethyl-3-(4-fluorophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
CID 3526398
(2E)-N,N-diethyl-3-(2-fluorophenyl)-2-(2-oxopyridin-1(2H)-yl)prop-2-enamide
CID 6513776
(2E)-N,N-diethyl-3-(4-fluorophenyl)-2-(2-oxopyridin-1(2H)-yl)prop-2-enamide
CID 7321072
3-(5-Bromo-2-fluorophenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 7964141
(E)-3-(5-bromo-2-fluorophenyl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]prop-2-enehydrazide
CID 9078068

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The IUPAC name of 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide (CID 3584852) is 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide.
What is the SMILES notation for 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The canonical SMILES for 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide is C=CCN(CC=C)C(=O)C(=Cc1cccc(Br)c1)n1ccccc1=O.
What is the InChIKey of 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
The InChIKey is AWOJTEZHGRRNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-3-11-22(12-4-2)20(25)18(23-13-6-5-10-19(23)24)15-16-8-7-9-17(21)14-16/h3-10,13-15H,1-2,11-12H2.
What are the key properties of 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide?
3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide has a molecular weight of 399.29 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide is sourced from PubChem (CID 3584852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).