3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide

C10H14BrN3O2 — CID 119821015

IUPAC3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide
SMILESCC(N)CC(=O)Nc1cc(Br)c(=O)n(C)c1
InChIInChI=1S/C10H14BrN3O2/c1-6(12)3-9(15)13-7-4-8(11)10(16)14(2)5-7/h4-6H,3,12H2,1-2H3,(H,13,15)
InChIKeyIHDXWJLGGWFFAJ-UHFFFAOYSA-N
MW288.15 g/mol
LogP0.82
Rot. Bonds3

About 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide

3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide (PubChem CID 119821015) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide
PubChem CID119821015
Molecular FormulaC10H14BrN3O2
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide
SMILESCC(N)CC(=O)Nc1cc(Br)c(=O)n(C)c1
InChIInChI=1S/C10H14BrN3O2/c1-6(12)3-9(15)13-7-4-8(11)10(16)14(2)5-7/h4-6H,3,12H2,1-2H3,(H,13,15)
InChIKeyIHDXWJLGGWFFAJ-UHFFFAOYSA-N
XLogP0.82
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)propanamide;hydrochloride
CID 119344889
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide
CID 71921848
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119821002
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide
CID 71856485
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
3-amino-N-(1-methyl-2-oxo-3H-indol-5-yl)butanamide
CID 115153965
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
dimethyl 5-(3-aminobutanoylamino)benzene-1,3-dicarboxylate
CID 61254635
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide?
The IUPAC name of 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide (CID 119821015) is 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide?
The canonical SMILES for 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide is CC(N)CC(=O)Nc1cc(Br)c(=O)n(C)c1.
What is the InChIKey of 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide?
The InChIKey is IHDXWJLGGWFFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-6(12)3-9(15)13-7-4-8(11)10(16)14(2)5-7/h4-6H,3,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide?
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide has a molecular weight of 288.15 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide is sourced from PubChem (CID 119821015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).