4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide

C10H15BrN4O — CID 104506470

IUPAC4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
SMILESCc1c(N)cnc(NCCCC(N)=O)c1Br
InChIInChI=1S/C10H15BrN4O/c1-6-7(12)5-15-10(9(6)11)14-4-2-3-8(13)16/h5H,2-4,12H2,1H3,(H2,13,16)(H,14,15)
InChIKeyTVLGKXAEGCJIOY-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.41
Rot. Bonds5

About 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide

4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide (PubChem CID 104506470) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
PubChem CID104506470
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
SMILESCc1c(N)cnc(NCCCC(N)=O)c1Br
InChIInChI=1S/C10H15BrN4O/c1-6-7(12)5-15-10(9(6)11)14-4-2-3-8(13)16/h5H,2-4,12H2,1H3,(H2,13,16)(H,14,15)
InChIKeyTVLGKXAEGCJIOY-UHFFFAOYSA-N
XLogP1.41
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide 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

4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 104507008
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334627
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
CID 114173719
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide?
The IUPAC name of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide (CID 104506470) is 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide.
What is the SMILES notation for 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide?
The canonical SMILES for 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide is Cc1c(N)cnc(NCCCC(N)=O)c1Br.
What is the InChIKey of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide?
The InChIKey is TVLGKXAEGCJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-6-7(12)5-15-10(9(6)11)14-4-2-3-8(13)16/h5H,2-4,12H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide?
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide has a molecular weight of 287.16 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 104506470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).