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

C13H18BrN3O — CID 71996706

IUPAC3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
SMILESO=C(CCNc1cncc(Br)c1)NC1CCCC1
InChIInChI=1S/C13H18BrN3O/c14-10-7-12(9-15-8-10)16-6-5-13(18)17-11-3-1-2-4-11/h7-9,11,16H,1-6H2,(H,17,18)
InChIKeyDMZDVDACMHXOAK-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.70
Rot. Bonds5

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

3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide (PubChem CID 71996706) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
PubChem CID71996706
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
SMILESO=C(CCNc1cncc(Br)c1)NC1CCCC1
InChIInChI=1S/C13H18BrN3O/c14-10-7-12(9-15-8-10)16-6-5-13(18)17-11-3-1-2-4-11/h7-9,11,16H,1-6H2,(H,17,18)
InChIKeyDMZDVDACMHXOAK-UHFFFAOYSA-N
XLogP2.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide
CID 115657144
N-cyclohexyl-3-(3,5-dichloroanilino)propanamide
CID 109014092
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
N-cycloheptyl-3-(3,4-dichloroanilino)propanamide
CID 109031534
N-cycloheptyl-3-(3,4-difluoroanilino)propanamide
CID 109031550
N-cyclopentyl-3-(4-ethylanilino)propanamide
CID 109013496
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one
CID 133320791
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 115657758

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide (CID 71996706) is 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide is O=C(CCNc1cncc(Br)c1)NC1CCCC1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide?
The InChIKey is DMZDVDACMHXOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-10-7-12(9-15-8-10)16-6-5-13(18)17-11-3-1-2-4-11/h7-9,11,16H,1-6H2,(H,17,18).
What are the key properties of 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide?
3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide has a molecular weight of 312.21 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 71996706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).