N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide

C15H11BrCl2N2O — CID 4209207

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCc1nc(NC(=O)C=Cc2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C15H11BrCl2N2O/c1-9-12(16)5-6-14(19-9)20-15(21)7-3-10-2-4-11(17)8-13(10)18/h2-8H,1H3,(H,19,20,21)
InChIKeyWUNJNMFYKHVUJR-UHFFFAOYSA-N
MW386.08 g/mol
LogP5.11
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide

N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 4209207) has the molecular formula C15H11BrCl2N2O and a molecular weight of 386.08 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID4209207
Molecular FormulaC15H11BrCl2N2O
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCc1nc(NC(=O)C=Cc2ccc(Cl)cc2Cl)ccc1Br
InChIInChI=1S/C15H11BrCl2N2O/c1-9-12(16)5-6-14(19-9)20-15(21)7-3-10-2-4-11(17)8-13(10)18/h2-8H,1H3,(H,19,20,21)
InChIKeyWUNJNMFYKHVUJR-UHFFFAOYSA-N
XLogP5.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.08
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6134268
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
(E)-N-(4-bromo-2-methylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1325728
(E)-3-(2,4-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-3-methylphenyl]-2-methylphenyl]prop-2-enamide
CID 6015566
(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 110495819
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
CID 897133
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163694
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3632284
ethyl 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]pyridine-4-carboxylate
CID 108755506
(E)-3-(2,4-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140856

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 4209207) is N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide is Cc1nc(NC(=O)C=Cc2ccc(Cl)cc2Cl)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is WUNJNMFYKHVUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O/c1-9-12(16)5-6-14(19-9)20-15(21)7-3-10-2-4-11(17)8-13(10)18/h2-8H,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 386.08 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 4209207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).