2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide

C13H18BrN3O — CID 113350201

IUPAC2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
SMILESCC(Nc1cncc(Br)c1)C(=O)NC1CCCC1
InChIInChI=1S/C13H18BrN3O/c1-9(13(18)17-11-4-2-3-5-11)16-12-6-10(14)7-15-8-12/h6-9,11,16H,2-5H2,1H3,(H,17,18)
InChIKeyLVZNCCCCHOXSTE-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.70
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide

2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide (PubChem CID 113350201) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
PubChem CID113350201
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
SMILESCC(Nc1cncc(Br)c1)C(=O)NC1CCCC1
InChIInChI=1S/C13H18BrN3O/c1-9(13(18)17-11-4-2-3-5-11)16-12-6-10(14)7-15-8-12/h6-9,11,16H,2-5H2,1H3,(H,17,18)
InChIKeyLVZNCCCCHOXSTE-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide 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

(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597
2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
CID 104797136
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 71996706
1-[4-[1-[(5-bromo-3-pyridinyl)amino]ethyl]phenyl]-3-cyclopropylurea
CID 133317283
N-cyclohexyl-2-(3-fluoro-5-methylanilino)propanamide
CID 79055402
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
CID 175431192
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide (CID 113350201) is 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide is CC(Nc1cncc(Br)c1)C(=O)NC1CCCC1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide?
The InChIKey is LVZNCCCCHOXSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9(13(18)17-11-4-2-3-5-11)16-12-6-10(14)7-15-8-12/h6-9,11,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide?
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide has a molecular weight of 312.21 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 113350201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).