2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide

C10H10BrN3O — CID 103755271

IUPAC2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cccnc1Br
InChIInChI=1S/C10H10BrN3O/c1-10(2,6-12)14-9(15)7-4-3-5-13-8(7)11/h3-5H,1-2H3,(H,14,15)
InChIKeyUKBLQPDOFWELFG-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.88
Rot. Bonds2

About 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide

2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide (PubChem CID 103755271) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
PubChem CID103755271
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(C#N)NC(=O)c1cccnc1Br
InChIInChI=1S/C10H10BrN3O/c1-10(2,6-12)14-9(15)7-4-3-5-13-8(7)11/h3-5H,1-2H3,(H,14,15)
InChIKeyUKBLQPDOFWELFG-UHFFFAOYSA-N
XLogP1.88
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.88
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-cyanopropan-2-yl)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

N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide
CID 60966818
2-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 113255136
2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid
CID 590819
N-(2-cyanopropan-2-yl)quinoline-4-carboxamide
CID 113224905
2-bromo-N-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 103755270
2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
CID 103755069
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
6-bromo-N-(2-cyanopropan-2-yl)pyridine-2-carboxamide
CID 103890083
2-bromo-N-(1-cyanobutan-2-yl)pyridine-3-carboxamide
CID 104694857
2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide
CID 79035909

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide (CID 103755271) is 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide is CC(C)(C#N)NC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide?
The InChIKey is UKBLQPDOFWELFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-10(2,6-12)14-9(15)7-4-3-5-13-8(7)11/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide?
2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide has a molecular weight of 268.11 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 103755271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).