N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide

C15H15BrN2O2 — CID 84558557

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(Br)c[nH]c2=O)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10-2-4-11(5-3-10)6-7-14(19)18-13-8-12(16)9-17-15(13)20/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyKBVALPRAGDUSJB-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.02
Rot. Bonds4

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide (PubChem CID 84558557) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide
PubChem CID84558557
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(Br)c[nH]c2=O)cc1
InChIInChI=1S/C15H15BrN2O2/c1-10-2-4-11(5-3-10)6-7-14(19)18-13-8-12(16)9-17-15(13)20/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyKBVALPRAGDUSJB-UHFFFAOYSA-N
XLogP3.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride
CID 119862492
N-(2-bromo-5-chlorophenyl)-3-(4-methylphenyl)propanamide
CID 81272017
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 84558738
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide
CID 84558483
N-[2-[(2-aminoacetyl)amino]-4-methylphenyl]-3-(4-methylphenyl)propanamide
CID 39185832
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
3-methyl-4-[3-(4-methylphenyl)propanoylamino]benzoic acid
CID 17341392
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
CID 84558594
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide
CID 84558529
N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide
CID 17342552
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide (CID 84558557) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2cc(Br)c[nH]c2=O)cc1.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is KBVALPRAGDUSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-2-4-11(5-3-10)6-7-14(19)18-13-8-12(16)9-17-15(13)20/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 335.20 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 84558557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).