(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide

C15H13BrN2O2 — CID 41177590

IUPAC(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccncc1
InChIInChI=1S/C15H13BrN2O2/c1-20-14-4-3-12(16)10-11(14)2-5-15(19)18-13-6-8-17-9-7-13/h2-10H,1H3,(H,17,18,19)/b5-2+
InChIKeyNOARBPCJFQYGIM-GORDUTHDSA-N
MW333.19 g/mol
LogP3.50
Rot. Bonds4

About (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide

(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 41177590) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID41177590
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(Br)cc1/C=C/C(=O)Nc1ccncc1
InChIInChI=1S/C15H13BrN2O2/c1-20-14-4-3-12(16)10-11(14)2-5-15(19)18-13-6-8-17-9-7-13/h2-10H,1H3,(H,17,18,19)/b5-2+
InChIKeyNOARBPCJFQYGIM-GORDUTHDSA-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

(E)-3-(5-bromo-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 19206457
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(E)-3-(5-bromo-2-methoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 17111218
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 1116370
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]prop-2-enamide
CID 55583761
3-(5-bromo-2-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 74713789
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 1371675
(E)-3-(5-bromo-2-methoxyphenyl)-N-[4-(4-chlorophenoxy)phenyl]prop-2-enamide
CID 17111288
S-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56576947
N-[4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylamino]-2-methoxyphenyl]-2-methylpropanamide
CID 3332193
(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 2306389
3-(5-bromo-2-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 78772234

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide (CID 41177590) is (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide is COc1ccc(Br)cc1/C=C/C(=O)Nc1ccncc1.
What is the InChIKey of (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is NOARBPCJFQYGIM-GORDUTHDSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-20-14-4-3-12(16)10-11(14)2-5-15(19)18-13-6-8-17-9-7-13/h2-10H,1H3,(H,17,18,19)/b5-2+.
What are the key properties of (E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-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)-3-(5-bromo-2-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 41177590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).