N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide

C14H13BrN2O — CID 106491097

IUPACN-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O/c1-9-6-12(7-10(2)13(9)15)17-14(18)11-4-3-5-16-8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyUQYQFCNHERBOJK-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.71
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide

N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide (PubChem CID 106491097) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
PubChem CID106491097
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)cc(C)c1Br
InChIInChI=1S/C14H13BrN2O/c1-9-6-12(7-10(2)13(9)15)17-14(18)11-4-3-5-16-8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyUQYQFCNHERBOJK-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-(4-bromo-3,5-dimethylphenyl)-3-iodobenzamide
CID 107574838
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[4-(furan-2-carbonylamino)-3-methylphenyl]pyridine-3-carboxamide
CID 650804
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide (CID 106491097) is N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide?
The InChIKey is UQYQFCNHERBOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-6-12(7-10(2)13(9)15)17-14(18)11-4-3-5-16-8-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide has a molecular weight of 305.18 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 106491097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).