3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide

C13H20BrN3O — CID 115774058

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
SMILESCc1cc(NCCC(=O)NC(C)(C)C)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-9-7-11(16-8-10(9)14)15-6-5-12(18)17-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeySSHJUSJIBSGKHB-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.87
Rot. Bonds4

About 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide (PubChem CID 115774058) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
PubChem CID115774058
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide
SMILESCc1cc(NCCC(=O)NC(C)(C)C)ncc1Br
InChIInChI=1S/C13H20BrN3O/c1-9-7-11(16-8-10(9)14)15-6-5-12(18)17-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeySSHJUSJIBSGKHB-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide 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

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113340036
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
5-bromo-4-methyl-N-[(E)-pent-3-enyl]pyridin-2-amine
CID 115774111
N-(5-bromo-4-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602862
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 115773852
1-[4-[2-[(5-bromo-4-methyl-2-pyridinyl)amino]ethyl]piperidin-1-yl]ethanone
CID 133404189
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide (CID 115774058) is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide is Cc1cc(NCCC(=O)NC(C)(C)C)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide?
The InChIKey is SSHJUSJIBSGKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-9-7-11(16-8-10(9)14)15-6-5-12(18)17-13(2,3)4/h7-8H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide?
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide has a molecular weight of 314.23 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 115774058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).