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

C11H16BrN3O — CID 115657144

IUPAC3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cncc(Br)c1
InChIInChI=1S/C11H16BrN3O/c1-2-4-15-11(16)3-5-14-10-6-9(12)7-13-8-10/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeySYNBIBJTNMLOKH-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.17
Rot. Bonds6

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

3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide (PubChem CID 115657144) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide
PubChem CID115657144
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cncc(Br)c1
InChIInChI=1S/C11H16BrN3O/c1-2-4-15-11(16)3-5-14-10-6-9(12)7-13-8-10/h6-8,14H,2-5H2,1H3,(H,15,16)
InChIKeySYNBIBJTNMLOKH-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-[(5-bromo-3-pyridinyl)amino]propan-1-one
CID 133320791
3-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 71996706
5-bromo-N-hexylpyridin-3-amine
CID 115656852
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
5-bromo-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 104531470
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
N-ethyl-2-[[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 113423725
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide (CID 115657144) is 3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide?
The InChIKey is SYNBIBJTNMLOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-4-15-11(16)3-5-14-10-6-9(12)7-13-8-10/h6-8,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide?
3-[(5-bromo-3-pyridinyl)amino]-N-propylpropanamide has a molecular weight of 286.17 g/mol, XLogP of 2.17, 6 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-propylpropanamide is sourced from PubChem (CID 115657144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).