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

C10H13BrN4O3 — CID 79535149

IUPAC2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H13BrN4O3/c1-3-12-10(16)6(2)14-9-8(11)4-7(5-13-9)15(17)18/h4-6H,3H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyQWTFYUFJXWIWKL-UHFFFAOYSA-N
MW317.14 g/mol
LogP1.69
Rot. Bonds5

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

2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide (PubChem CID 79535149) has the molecular formula C10H13BrN4O3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
PubChem CID79535149
Molecular FormulaC10H13BrN4O3
Molecular Weight317.14 g/mol
Exact Mass316.02
IUPAC Name2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H13BrN4O3/c1-3-12-10(16)6(2)14-9-8(11)4-7(5-13-9)15(17)18/h4-6H,3H2,1-2H3,(H,12,16)(H,13,14)
InChIKeyQWTFYUFJXWIWKL-UHFFFAOYSA-N
XLogP1.69
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 51.69
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'}

Analyze 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
(2S)-2-[(3-bromo-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 122062843
ethyl 3-[(3-bromo-5-nitro-2-pyridinyl)amino]butanoate
CID 133363362
3-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79711129
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113415973
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 113410745
3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine
CID 79534618
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-nitropyridin-2-amine
CID 79534255
2-(5-bromo-2-nitroanilino)-N-ethylpropanamide
CID 65341502
3-bromo-N-(6-methylheptan-2-yl)-5-nitropyridin-2-amine
CID 79534701
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61480118

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide (CID 79535149) is 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide?
The InChIKey is QWTFYUFJXWIWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O3/c1-3-12-10(16)6(2)14-9-8(11)4-7(5-13-9)15(17)18/h4-6H,3H2,1-2H3,(H,12,16)(H,13,14).
What are the key properties of 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide?
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide has a molecular weight of 317.14 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 79535149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).