6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide

C16H17BrN2O — CID 66463109

IUPAC6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C16H17BrN2O/c1-16(2,3)12-6-4-5-7-13(12)19-15(20)11-8-9-14(17)18-10-11/h4-10H,1-3H3,(H,19,20)
InChIKeyMTKFUJBNGIRFQX-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.39
Rot. Bonds2

About 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide

6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide (PubChem CID 66463109) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
PubChem CID66463109
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C16H17BrN2O/c1-16(2,3)12-6-4-5-7-13(12)19-15(20)11-8-9-14(17)18-10-11/h4-10H,1-3H3,(H,19,20)
InChIKeyMTKFUJBNGIRFQX-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
6-bromo-N-[2-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 66462709
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N-(2-anilinophenyl)-6-bromopyridine-3-carboxamide
CID 89461171
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
6-bromo-N-[2-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 66464873
6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
CID 63525115
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
CID 109163142

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide (CID 66463109) is 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The InChIKey is MTKFUJBNGIRFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-16(2,3)12-6-4-5-7-13(12)19-15(20)11-8-9-14(17)18-10-11/h4-10H,1-3H3,(H,19,20).
What are the key properties of 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 66463109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).