N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide

C9H10BrN3O3 — CID 106164264

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C9H10BrN3O3/c10-7-3-5(1-2-12-7)9(16)13-4-6(14)8(11)15/h1-3,6,14H,4H2,(H2,11,15)(H,13,16)
InChIKeyLDBAXKPRTYKLSY-UHFFFAOYSA-N
MW288.10 g/mol
LogP-0.58
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide (PubChem CID 106164264) has the molecular formula C9H10BrN3O3 and a molecular weight of 288.10 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
PubChem CID106164264
Molecular FormulaC9H10BrN3O3
Molecular Weight288.10 g/mol
Exact Mass286.99
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C9H10BrN3O3/c10-7-3-5(1-2-12-7)9(16)13-4-6(14)8(11)15/h1-3,6,14H,4H2,(H2,11,15)(H,13,16)
InChIKeyLDBAXKPRTYKLSY-UHFFFAOYSA-N
XLogP-0.58
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770404
N-(3-amino-2-hydroxy-3-oxopropyl)-2-(dimethylamino)pyridine-4-carboxamide
CID 114152484
N-(3-amino-2-hydroxy-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 106165096
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
2-bromo-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 103755339
N-(3-amino-2-hydroxy-3-oxopropyl)pyridazine-4-carboxamide
CID 106164807
N-(3-amino-2-hydroxy-3-oxopropyl)quinoline-6-carboxamide
CID 107261247
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
2-bromo-N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 103754460
N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
CID 106164507
2-bromo-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 103752807

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide (CID 106164264) is N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide is NC(=O)C(O)CNC(=O)c1ccnc(Br)c1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide?
The InChIKey is LDBAXKPRTYKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3/c10-7-3-5(1-2-12-7)9(16)13-4-6(14)8(11)15/h1-3,6,14H,4H2,(H2,11,15)(H,13,16).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide has a molecular weight of 288.10 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-2-bromopyridine-4-carboxamide is sourced from PubChem (CID 106164264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).