N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide

C11H14BrClN2O — CID 114314442

IUPACN-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCCC(C)(CBr)NC(=O)c1ccncc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-3-11(2,7-12)15-10(16)8-4-5-14-6-9(8)13/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyNVBYTLPRWOZVFM-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.03
Rot. Bonds4

About N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide

N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide (PubChem CID 114314442) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
PubChem CID114314442
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide
SMILESCCC(C)(CBr)NC(=O)c1ccncc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-3-11(2,7-12)15-10(16)8-4-5-14-6-9(8)13/h4-6H,3,7H2,1-2H3,(H,15,16)
InChIKeyNVBYTLPRWOZVFM-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-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

3-chloro-N-[(3S)-1-hydroxy-3-methylpentan-3-yl]pyridine-4-carboxamide
CID 97340426
4-chloro-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 103875358
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-4-carboxamide
CID 66481995
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-chlorobenzamide
CID 114314430
3-chloro-N-[1-(dimethylamino)-2-methylpropan-2-yl]pyridine-4-carboxamide
CID 122559790
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66463794
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
N-[2-(tert-butylamino)-2-oxoethyl]-3-chloropyridine-4-carboxamide
CID 79079783
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
N-(1-bromo-2-methylbutan-2-yl)pyridine-2-carboxamide
CID 114314515
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide (CID 114314442) is N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide is CCC(C)(CBr)NC(=O)c1ccncc1Cl.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide?
The InChIKey is NVBYTLPRWOZVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-3-11(2,7-12)15-10(16)8-4-5-14-6-9(8)13/h4-6H,3,7H2,1-2H3,(H,15,16).
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide?
N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide has a molecular weight of 305.60 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 114314442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).