3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide

C15H15BrN2O — CID 127122248

IUPAC3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1cccc(Br)c1)NCc1cccnc1
InChIInChI=1S/C15H15BrN2O/c16-14-5-1-3-12(9-14)6-7-15(19)18-11-13-4-2-8-17-10-13/h1-5,8-10H,6-7,11H2,(H,18,19)
InChIKeyHIFRZYPQLSPTOW-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.09
Rot. Bonds5

About 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide

3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 127122248) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID127122248
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCc1cccc(Br)c1)NCc1cccnc1
InChIInChI=1S/C15H15BrN2O/c16-14-5-1-3-12(9-14)6-7-15(19)18-11-13-4-2-8-17-10-13/h1-5,8-10H,6-7,11H2,(H,18,19)
InChIKeyHIFRZYPQLSPTOW-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51155626
2-(5-bromo-3-pyridinyl)-N-(pyridin-3-ylmethyl)acetamide
CID 142612479
N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925744
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
4-bromo-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 8852438
N-[(2-methyl-4-pyridinyl)methyl]-3-pyridin-3-ylpropanamide
CID 131936779
3-(3,4-dimethoxyphenyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]propanamide
CID 112993071
N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
CID 43011216
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide (CID 127122248) is 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide is O=C(CCc1cccc(Br)c1)NCc1cccnc1.
What is the InChIKey of 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is HIFRZYPQLSPTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-14-5-1-3-12(9-14)6-7-15(19)18-11-13-4-2-8-17-10-13/h1-5,8-10H,6-7,11H2,(H,18,19).
What are the key properties of 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide?
3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 319.20 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 127122248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).