3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide

C14H13BrN2O — CID 104851859

IUPAC3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C14H13BrN2O/c1-10-5-12(7-13(15)6-10)14(18)17-9-11-3-2-4-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyCUNDITPRPCHGGQ-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.08
Rot. Bonds3

About 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide

3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 104851859) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID104851859
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C14H13BrN2O/c1-10-5-12(7-13(15)6-10)14(18)17-9-11-3-2-4-16-8-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyCUNDITPRPCHGGQ-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-[(4-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 25181605
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
3-N-(pyridin-3-ylmethyl)-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109106036
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
3,5-dimethyl-N-[[3-(pyridin-3-ylcarbamoyl)phenyl]methyl]benzamide
CID 50914021
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 104851859) is 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide is Cc1cc(Br)cc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is CUNDITPRPCHGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10-5-12(7-13(15)6-10)14(18)17-9-11-3-2-4-16-8-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 104851859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).