N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide

C14H13BrN2O — CID 71464118

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide
SMILESCc1cc(Br)cnc1N(C)C(=O)c1ccccc1
InChIInChI=1S/C14H13BrN2O/c1-10-8-12(15)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyCSOQEDDCMIREKI-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.43
Rot. Bonds2

About N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide

N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide (PubChem CID 71464118) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide
PubChem CID71464118
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide
SMILESCc1cc(Br)cnc1N(C)C(=O)c1ccccc1
InChIInChI=1S/C14H13BrN2O/c1-10-8-12(15)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyCSOQEDDCMIREKI-UHFFFAOYSA-N
XLogP3.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide (CID 71464118) is N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide is Cc1cc(Br)cnc1N(C)C(=O)c1ccccc1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide?
The InChIKey is CSOQEDDCMIREKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10-8-12(15)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide?
N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide has a molecular weight of 305.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 71464118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).