2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide

C8H9BrN4O3 — CID 61229226

IUPAC2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
SMILESCC(Nc1ncc(Br)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C8H9BrN4O3/c1-4(7(10)14)12-8-6(13(15)16)2-5(9)3-11-8/h2-4H,1H3,(H2,10,14)(H,11,12)
InChIKeyLFCGNECOVAZEDF-UHFFFAOYSA-N
MW289.09 g/mol
LogP1.04
Rot. Bonds4

About 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide

2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide (PubChem CID 61229226) has the molecular formula C8H9BrN4O3 and a molecular weight of 289.09 g/mol. Its IUPAC name is 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
PubChem CID61229226
Molecular FormulaC8H9BrN4O3
Molecular Weight289.09 g/mol
Exact Mass287.99
IUPAC Name2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide
SMILESCC(Nc1ncc(Br)cc1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C8H9BrN4O3/c1-4(7(10)14)12-8-6(13(15)16)2-5(9)3-11-8/h2-4H,1H3,(H2,10,14)(H,11,12)
InChIKeyLFCGNECOVAZEDF-UHFFFAOYSA-N
XLogP1.04
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61480118
3-[(5-bromo-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80708503
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
N-[1-(4-aminophenyl)ethyl]-5-bromo-3-nitropyridin-2-amine
CID 116650532
5-bromo-3-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine
CID 94190114
5-bromo-N-(6-methylheptan-2-yl)-3-nitropyridin-2-amine
CID 63463823
5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-nitropyridin-2-amine
CID 113387431
5-bromo-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 61227487
4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 80539678
2-N-(5-bromo-3-nitro-2-pyridinyl)hexane-1,2-diamine
CID 80704072
5-bromo-3-nitro-N-(2-propan-2-ylphenyl)pyridin-2-amine
CID 63462837
2-[(1-amino-1-oxopropan-2-yl)amino]-5-nitropyridine-4-carboxylic acid
CID 114089839

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide (CID 61229226) is 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide is CC(Nc1ncc(Br)cc1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is LFCGNECOVAZEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O3/c1-4(7(10)14)12-8-6(13(15)16)2-5(9)3-11-8/h2-4H,1H3,(H2,10,14)(H,11,12).
What are the key properties of 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide?
2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 289.09 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 61229226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).