(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide

C15H12BrClN2O — CID 6134268

IUPAC(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C15H12BrClN2O/c1-10-13(16)7-8-14(18-10)19-15(20)9-4-11-2-5-12(17)6-3-11/h2-9H,1H3,(H,18,19,20)/b9-4+
InChIKeyZGEQLIWUAZPAQB-RUDMXATFSA-N
MW351.63 g/mol
LogP4.46
Rot. Bonds3

About (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 6134268) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID6134268
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCc1nc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C15H12BrClN2O/c1-10-13(16)7-8-14(18-10)19-15(20)9-4-11-2-5-12(17)6-3-11/h2-9H,1H3,(H,18,19,20)/b9-4+
InChIKeyZGEQLIWUAZPAQB-RUDMXATFSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.46
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

N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 4209207
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 77072567
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 102820557
(E)-N-(5-iodo-6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19631485
N-(5-bromo-6-methyl-2-pyridinyl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 3632284
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide (CID 6134268) is (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide is Cc1nc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is ZGEQLIWUAZPAQB-RUDMXATFSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-10-13(16)7-8-14(18-10)19-15(20)9-4-11-2-5-12(17)6-3-11/h2-9H,1H3,(H,18,19,20)/b9-4+.
What are the key properties of (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 351.63 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 6134268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).