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

C10H13BrN4O3 — CID 113410745

IUPAC3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H13BrN4O3/c1-2-12-9(16)3-4-13-10-8(11)5-7(6-14-10)15(17)18/h5-6H,2-4H2,1H3,(H,12,16)(H,13,14)
InChIKeyCBRYMRPSHALAQN-UHFFFAOYSA-N
MW317.14 g/mol
LogP1.69
Rot. Bonds6

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

3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide (PubChem CID 113410745) has the molecular formula C10H13BrN4O3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
PubChem CID113410745
Molecular FormulaC10H13BrN4O3
Molecular Weight317.14 g/mol
Exact Mass316.02
IUPAC Name3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H13BrN4O3/c1-2-12-9(16)3-4-13-10-8(11)5-7(6-14-10)15(17)18/h5-6H,2-4H2,1H3,(H,12,16)(H,13,14)
InChIKeyCBRYMRPSHALAQN-UHFFFAOYSA-N
XLogP1.69
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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'}

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Related Compounds

3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 79535237
7-[(3-bromo-5-nitro-2-pyridinyl)amino]heptanoic acid
CID 79535669
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 79535149
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61064039
2-[(3-bromo-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83205044
3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112696597
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79535072
N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79534620
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
3-[[(3-bromo-5-nitro-2-pyridinyl)amino]methyl]hexan-1-ol
CID 103730038
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide?
The IUPAC name of 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide (CID 113410745) is 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide?
The canonical SMILES for 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide is CCNC(=O)CCNc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide?
The InChIKey is CBRYMRPSHALAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O3/c1-2-12-9(16)3-4-13-10-8(11)5-7(6-14-10)15(17)18/h5-6H,2-4H2,1H3,(H,12,16)(H,13,14).
What are the key properties of 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide?
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide has a molecular weight of 317.14 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 113410745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).