3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide

C15H13BrN2O — CID 897837

IUPAC3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(Br)cc2)nc1
InChIInChI=1S/C15H13BrN2O/c1-11-2-8-14(17-10-11)18-15(19)9-5-12-3-6-13(16)7-4-12/h2-10H,1H3,(H,17,18,19)
InChIKeyIHNCVTBJUMLKMS-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.80
Rot. Bonds3

About 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide

3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 897837) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
PubChem CID897837
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccc(NC(=O)C=Cc2ccc(Br)cc2)nc1
InChIInChI=1S/C15H13BrN2O/c1-11-2-8-14(17-10-11)18-15(19)9-5-12-3-6-13(16)7-4-12/h2-10H,1H3,(H,17,18,19)
InChIKeyIHNCVTBJUMLKMS-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.80
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-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
3-(3-chlorophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 4548014
(E)-4-[(5-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 6032773
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749
(E)-3-(4-bromophenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 896371
(E)-2-methyl-4-[(5-methyl-2-pyridinyl)amino]-4-oxobut-2-enoic acid
CID 82335627
(E)-N-hydroxy-3-[6-(4-methylanilino)-3-pyridinyl]prop-2-enamide;hydrochloride
CID 87636088
N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 77072567
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
N-[(5-bromo-2-pyridinyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 1345680
(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
CID 134562646
3,5-dibromo-N-(5-methyl-2-pyridinyl)benzamide
CID 103907650

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide (CID 897837) is 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide is Cc1ccc(NC(=O)C=Cc2ccc(Br)cc2)nc1.
What is the InChIKey of 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is IHNCVTBJUMLKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-11-2-8-14(17-10-11)18-15(19)9-5-12-3-6-13(16)7-4-12/h2-10H,1H3,(H,17,18,19).
What are the key properties of 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 317.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 897837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).