3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide

C14H11BrN2O2 — CID 171151926

IUPAC3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccnc(Br)c1)Nc1ccc(O)cc1
InChIInChI=1S/C14H11BrN2O2/c15-13-9-10(7-8-16-13)1-6-14(19)17-11-2-4-12(18)5-3-11/h1-9,18H,(H,17,19)
InChIKeyCUSHHHKLTWMVFL-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.20
Rot. Bonds3

About 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide

3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 171151926) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID171151926
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccnc(Br)c1)Nc1ccc(O)cc1
InChIInChI=1S/C14H11BrN2O2/c15-13-9-10(7-8-16-13)1-6-14(19)17-11-2-4-12(18)5-3-11/h1-9,18H,(H,17,19)
InChIKeyCUSHHHKLTWMVFL-UHFFFAOYSA-N
XLogP3.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2-bromo-4-pyridinyl)prop-2-enoate
CID 169479763
(E)-N,N'-bis(4-hydroxyphenyl)but-2-enediamide
CID 5356642
(E)-N-(3-bromo-4-methylphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552549
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 12818880
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552104
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
N'-(4-hydroxyphenyl)but-2-enediamide
CID 54373747
(E)-3-(4-butoxy-3-ethoxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 102534909
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide (CID 171151926) is 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide is O=C(C=Cc1ccnc(Br)c1)Nc1ccc(O)cc1.
What is the InChIKey of 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is CUSHHHKLTWMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-13-9-10(7-8-16-13)1-6-14(19)17-11-2-4-12(18)5-3-11/h1-9,18H,(H,17,19).
What are the key properties of 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide?
3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 319.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-pyridinyl)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 171151926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).