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

C11H15BrN4O3 — CID 112696597

IUPAC2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H15BrN4O3/c1-3-15(4-2)10(17)7-14-11-9(12)5-8(6-13-11)16(18)19/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyKZDBFBCMDGCCIX-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.03
Rot. Bonds6

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

2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide (PubChem CID 112696597) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
PubChem CID112696597
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H15BrN4O3/c1-3-15(4-2)10(17)7-14-11-9(12)5-8(6-13-11)16(18)19/h5-6H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyKZDBFBCMDGCCIX-UHFFFAOYSA-N
XLogP2.03
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
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
N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 115658747
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79535072
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-N-ethylpropanamide
CID 113410745
7-[(3-bromo-5-nitro-2-pyridinyl)amino]heptanoic acid
CID 79535669
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112699018
2-[(3-bromo-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83205044
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
3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
N-(3-bromo-5-nitro-2-pyridinyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79534620

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide (CID 112696597) is 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide?
The InChIKey is KZDBFBCMDGCCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c1-3-15(4-2)10(17)7-14-11-9(12)5-8(6-13-11)16(18)19/h5-6H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide?
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide has a molecular weight of 331.17 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 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,N-diethylacetamide is sourced from PubChem (CID 112696597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).