3-[(5-bromo-2-pyridinyl)amino]butanamide

C9H12BrN3O — CID 115684979

IUPAC3-[(5-bromo-2-pyridinyl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H12BrN3O/c1-6(4-8(11)14)13-9-3-2-7(10)5-12-9/h2-3,5-6H,4H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDLNLZRKNUOODKA-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.52
Rot. Bonds4

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

3-[(5-bromo-2-pyridinyl)amino]butanamide (PubChem CID 115684979) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)amino]butanamide
PubChem CID115684979
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name3-[(5-bromo-2-pyridinyl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H12BrN3O/c1-6(4-8(11)14)13-9-3-2-7(10)5-12-9/h2-3,5-6H,4H2,1H3,(H2,11,14)(H,12,13)
InChIKeyDLNLZRKNUOODKA-UHFFFAOYSA-N
XLogP1.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
3-[(5-nitro-2-pyridinyl)amino]butanamide
CID 115647561
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
3-[(5-amino-3-bromoquinolin-8-yl)amino]butanamide
CID 106949644
3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
CID 113344409
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]butanamide?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)amino]butanamide (CID 115684979) is 3-[(5-bromo-2-pyridinyl)amino]butanamide.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)amino]butanamide?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)amino]butanamide is CC(CC(N)=O)Nc1ccc(Br)cn1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)amino]butanamide?
The InChIKey is DLNLZRKNUOODKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-6(4-8(11)14)13-9-3-2-7(10)5-12-9/h2-3,5-6H,4H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 3-[(5-bromo-2-pyridinyl)amino]butanamide?
3-[(5-bromo-2-pyridinyl)amino]butanamide has a molecular weight of 258.12 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 115684979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).