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

C8H11BrN4O2 — CID 106166594

IUPAC3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1c(N)cncc1Br
InChIInChI=1S/C8H11BrN4O2/c9-4-1-12-2-5(10)7(4)13-3-6(14)8(11)15/h1-2,6,14H,3,10H2,(H2,11,15)(H,12,13)
InChIKeyVMHOLKOYVFOHQT-UHFFFAOYSA-N
MW275.11 g/mol
LogP-0.32
Rot. Bonds4

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

3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide (PubChem CID 106166594) has the molecular formula C8H11BrN4O2 and a molecular weight of 275.11 g/mol. Its IUPAC name is 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide
PubChem CID106166594
Molecular FormulaC8H11BrN4O2
Molecular Weight275.11 g/mol
Exact Mass274.01
IUPAC Name3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1c(N)cncc1Br
InChIInChI=1S/C8H11BrN4O2/c9-4-1-12-2-5(10)7(4)13-3-6(14)8(11)15/h1-2,6,14H,3,10H2,(H2,11,15)(H,12,13)
InChIKeyVMHOLKOYVFOHQT-UHFFFAOYSA-N
XLogP-0.32
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-amino-5-bromo-4-pyridinyl)amino]propan-2-ol
CID 103517707
1-[(3-amino-5-bromo-4-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151074
6-[(3-amino-5-bromo-4-pyridinyl)amino]hexan-1-ol
CID 107843957
methyl 2-[(3-amino-5-bromo-4-pyridinyl)amino]propanoate
CID 103517875
2-[(3-amino-5-bromo-4-pyridinyl)amino]propan-1-ol
CID 103517708
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
5-[(3-amino-5-bromo-4-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154442
3-(2-amino-4-bromo-5-fluoroanilino)-2-hydroxypropanamide
CID 106166702
5-bromo-4-N-(2,2-dimethylbutyl)pyridine-3,4-diamine
CID 103518598
5-bromo-4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 103517534
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503
2-[1-[[(3-amino-5-bromo-4-pyridinyl)amino]methyl]cyclopropyl]ethanol
CID 103518565

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide (CID 106166594) is 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1c(N)cncc1Br.
What is the InChIKey of 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide?
The InChIKey is VMHOLKOYVFOHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4O2/c9-4-1-12-2-5(10)7(4)13-3-6(14)8(11)15/h1-2,6,14H,3,10H2,(H2,11,15)(H,12,13).
What are the key properties of 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide?
3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide has a molecular weight of 275.11 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-5-bromo-4-pyridinyl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106166594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).