2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide

C12H17BrN2O2 — CID 105343028

IUPAC2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1cccnc1Br
InChIInChI=1S/C12H17BrN2O2/c1-4-17-12(2,3)8-15-11(16)9-6-5-7-14-10(9)13/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyRSNFPAKAUBIKFC-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.39
Rot. Bonds5

About 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide

2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide (PubChem CID 105343028) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
PubChem CID105343028
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide
SMILESCCOC(C)(C)CNC(=O)c1cccnc1Br
InChIInChI=1S/C12H17BrN2O2/c1-4-17-12(2,3)8-15-11(16)9-6-5-7-14-10(9)13/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyRSNFPAKAUBIKFC-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
2-[[(2-bromopyridine-3-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 114037105
2-bromo-N-(2,2-dimethylheptyl)pyridine-3-carboxamide
CID 103755991
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2,4-dibromo-N-(2-ethoxy-2-methylpropyl)benzamide
CID 105343041
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-[(2-ethylphenyl)methyl]pyridine-3-carboxamide
CID 103752820
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 113255136
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-bromo-N-[(5-ethylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 113255164

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide (CID 105343028) is 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide is CCOC(C)(C)CNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is RSNFPAKAUBIKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-4-17-12(2,3)8-15-11(16)9-6-5-7-14-10(9)13/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide?
2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 301.18 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethoxy-2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 105343028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).