(3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide

C9H12BrN3O2 — CID 130348311

IUPAC(3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide
SMILESN[C@H](CO)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H12BrN3O2/c10-6-1-2-8(12-4-6)13-9(15)3-7(11)5-14/h1-2,4,7,14H,3,5,11H2,(H,12,13,15)/t7-/m0/s1
InChIKeyRZRVRPRVFUARPR-ZETCQYMHSA-N
MW274.12 g/mol
LogP0.49
Rot. Bonds4

About (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide

(3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide (PubChem CID 130348311) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide
PubChem CID130348311
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name(3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide
SMILESN[C@H](CO)CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C9H12BrN3O2/c10-6-1-2-8(12-4-6)13-9(15)3-7(11)5-14/h1-2,4,7,14H,3,5,11H2,(H,12,13,15)/t7-/m0/s1
InChIKeyRZRVRPRVFUARPR-ZETCQYMHSA-N
XLogP0.49
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(5-bromo-2-pyridinyl)-3-methoxybutanamide
CID 103154268
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
4-amino-N-(5-bromo-2-pyridinyl)-3-ethoxybutanamide
CID 114227302
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
2-(1-aminocyclopentyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 64684559
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
CID 60655115
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
3-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66138511
1-amino-N-(5-bromo-2-pyridinyl)cyclopropane-1-carboxamide
CID 65466775
2-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 43500164

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide?
The IUPAC name of (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide (CID 130348311) is (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide.
What is the SMILES notation for (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide?
The canonical SMILES for (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide is N[C@H](CO)CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide?
The InChIKey is RZRVRPRVFUARPR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-6-1-2-8(12-4-6)13-9(15)3-7(11)5-14/h1-2,4,7,14H,3,5,11H2,(H,12,13,15)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide?
(3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide has a molecular weight of 274.12 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-(5-bromo-2-pyridinyl)-4-hydroxybutanamide is sourced from PubChem (CID 130348311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).