2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide

C16H17BrN2O — CID 103752335

IUPAC2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cccnc1Br)c1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-16(2,12-7-4-3-5-8-12)11-19-15(20)13-9-6-10-18-14(13)17/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyBJFWUBFXDLPZOH-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.55
Rot. Bonds4

About 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide

2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide (PubChem CID 103752335) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
PubChem CID103752335
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
SMILESCC(C)(CNC(=O)c1cccnc1Br)c1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-16(2,12-7-4-3-5-8-12)11-19-15(20)13-9-6-10-18-14(13)17/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyBJFWUBFXDLPZOH-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.55
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

2-[[(2-bromopyridine-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 114037105
2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
CID 105343028
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
CID 110474878
2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide
CID 103755991
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
CID 110467972
2-(aminomethyl)-N-(2-methyl-2-phenylpropyl)benzamide
CID 82546310
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
4-chloro-6-methyl-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 81228566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide (CID 103752335) is 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide is CC(C)(CNC(=O)c1cccnc1Br)c1ccccc1.
What is the InChIKey of 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is BJFWUBFXDLPZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-16(2,12-7-4-3-5-8-12)11-19-15(20)13-9-6-10-18-14(13)17/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide?
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 333.23 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 103752335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).