(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide

C15H13BrN2O2 — CID 127123442

IUPAC(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H13BrN2O2/c1-20-13-5-3-2-4-11(13)6-9-15(19)18-14-8-7-12(16)10-17-14/h2-10H,1H3,(H,17,18,19)/b9-6+
InChIKeyOJSURPHLIRMZJY-RMKNXTFCSA-N
MW333.19 g/mol
LogP3.50
Rot. Bonds4

About (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide

(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 127123442) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID127123442
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C15H13BrN2O2/c1-20-13-5-3-2-4-11(13)6-9-15(19)18-14-8-7-12(16)10-17-14/h2-10H,1H3,(H,17,18,19)/b9-6+
InChIKeyOJSURPHLIRMZJY-RMKNXTFCSA-N
XLogP3.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1396132
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-N-[1-(4-bromophenyl)cyclopropyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 55825522
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4199464
3-(5-bromo-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 74713789
(E)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 16564214
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide (CID 127123442) is (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is OJSURPHLIRMZJY-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-20-13-5-3-2-4-11(13)6-9-15(19)18-14-8-7-12(16)10-17-14/h2-10H,1H3,(H,17,18,19)/b9-6+.
What are the key properties of (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide?
(E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 333.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-bromo-2-pyridinyl)-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 127123442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).