N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide

C17H19BrN2O — CID 955826

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide
SMILESCc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br
InChIInChI=1S/C17H19BrN2O/c1-11-14(18)9-10-15(19-11)20-16(21)12-5-7-13(8-6-12)17(2,3)4/h5-10H,1-4H3,(H,19,20,21)
InChIKeyZBHSUKIMDMXXIP-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.70
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide (PubChem CID 955826) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide
PubChem CID955826
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide
SMILESCc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br
InChIInChI=1S/C17H19BrN2O/c1-11-14(18)9-10-15(19-11)20-16(21)12-5-7-13(8-6-12)17(2,3)4/h5-10H,1-4H3,(H,19,20,21)
InChIKeyZBHSUKIMDMXXIP-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide (CID 955826) is N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide is Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide?
The InChIKey is ZBHSUKIMDMXXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11-14(18)9-10-15(19-11)20-16(21)12-5-7-13(8-6-12)17(2,3)4/h5-10H,1-4H3,(H,19,20,21).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide has a molecular weight of 347.26 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-4-tert-butylbenzamide is sourced from PubChem (CID 955826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).