3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide

C15H15BrN2O — CID 161130883

IUPAC3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(Cc2cncc(Br)c2)C(N)=O)c1
InChIInChI=1S/C15H15BrN2O/c1-10-3-2-4-12(5-10)14(15(17)19)7-11-6-13(16)9-18-8-11/h2-6,8-9,14H,7H2,1H3,(H2,17,19)
InChIKeyUMDYSCYOYSMNQK-UHFFFAOYSA-N
MW319.20 g/mol
LogP2.96
Rot. Bonds4

About 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide

3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide (PubChem CID 161130883) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide
PubChem CID161130883
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(Cc2cncc(Br)c2)C(N)=O)c1
InChIInChI=1S/C15H15BrN2O/c1-10-3-2-4-12(5-10)14(15(17)19)7-11-6-13(16)9-18-8-11/h2-6,8-9,14H,7H2,1H3,(H2,17,19)
InChIKeyUMDYSCYOYSMNQK-UHFFFAOYSA-N
XLogP2.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
3-(5-bromo-3-pyridinyl)-2-chloropropanamide
CID 130486994
3-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]pyridine
CID 104813345
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
1-(5-bromo-3-pyridinyl)-4-(3-methylphenoxy)butan-2-ol
CID 105126440
1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
CID 104799991
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
2-(5-bromo-3-pyridinyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 105036748
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylphenyl)methanamine
CID 104796752
(2S)-5-amino-2-(3-methylphenyl)-5-oxopentanoic acid
CID 176716064
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide (CID 161130883) is 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide is Cc1cccc(C(Cc2cncc(Br)c2)C(N)=O)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide?
The InChIKey is UMDYSCYOYSMNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-3-2-4-12(5-10)14(15(17)19)7-11-6-13(16)9-18-8-11/h2-6,8-9,14H,7H2,1H3,(H2,17,19).
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide?
3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide has a molecular weight of 319.20 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-2-(3-methylphenyl)propanamide is sourced from PubChem (CID 161130883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).