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

C9H13BrN4O2 — CID 106166830

IUPAC3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
SMILESCc1c(N)cnc(NCC(O)C(N)=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-4-5(11)2-13-9(7(4)10)14-3-6(15)8(12)16/h2,6,15H,3,11H2,1H3,(H2,12,16)(H,13,14)
InChIKeyXVHJIUHRFKPQFX-UHFFFAOYSA-N
MW289.13 g/mol
LogP-0.01
Rot. Bonds4

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

3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide (PubChem CID 106166830) has the molecular formula C9H13BrN4O2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
PubChem CID106166830
Molecular FormulaC9H13BrN4O2
Molecular Weight289.13 g/mol
Exact Mass288.02
IUPAC Name3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
SMILESCc1c(N)cnc(NCC(O)C(N)=O)c1Br
InChIInChI=1S/C9H13BrN4O2/c1-4-5(11)2-13-9(7(4)10)14-3-6(15)8(12)16/h2,6,15H,3,11H2,1H3,(H2,12,16)(H,13,14)
InChIKeyXVHJIUHRFKPQFX-UHFFFAOYSA-N
XLogP-0.01
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 104506894
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
CID 104506698
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114176742
3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 104506810
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-methylbutan-1-ol
CID 104506915

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide (CID 106166830) is 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide is Cc1c(N)cnc(NCC(O)C(N)=O)c1Br.
What is the InChIKey of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide?
The InChIKey is XVHJIUHRFKPQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4O2/c1-4-5(11)2-13-9(7(4)10)14-3-6(15)8(12)16/h2,6,15H,3,11H2,1H3,(H2,12,16)(H,13,14).
What are the key properties of 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide?
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide has a molecular weight of 289.13 g/mol, XLogP of -0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106166830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).