2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide

C10H13BrN4O3 — CID 103877884

IUPAC2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C10H13BrN4O3/c1-2-3-13-9(16)6-14-10-7(11)4-12-5-8(10)15(17)18/h4-5H,2-3,6H2,1H3,(H,12,14)(H,13,16)
InChIKeyKZCINFYWWFDTKZ-UHFFFAOYSA-N
MW317.14 g/mol
LogP1.69
Rot. Bonds6

About 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide

2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide (PubChem CID 103877884) has the molecular formula C10H13BrN4O3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide
PubChem CID103877884
Molecular FormulaC10H13BrN4O3
Molecular Weight317.14 g/mol
Exact Mass316.02
IUPAC Name2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1c(Br)cncc1[N+](=O)[O-]
InChIInChI=1S/C10H13BrN4O3/c1-2-3-13-9(16)6-14-10-7(11)4-12-5-8(10)15(17)18/h4-5H,2-3,6H2,1H3,(H,12,14)(H,13,16)
InChIKeyKZCINFYWWFDTKZ-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-bromo-5-nitro-N-octylpyridin-4-amine
CID 103519442
2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-N-propylacetamide
CID 104507787
2-[[(3-bromo-5-nitro-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 103519009
N-(3-bromo-5-nitro-4-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 103519566
3-bromo-N-(3-methylsulfanylpropyl)-5-nitropyridin-4-amine
CID 103878057
3-bromo-5-nitro-N-(2-propan-2-yloxyethyl)pyridin-4-amine
CID 113428729
3-nitro-2-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
CID 115932186
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911
3-[(3-bromo-5-nitro-4-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 103877965
3-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-nitropyridin-4-amine
CID 103877894
2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide?
The IUPAC name of 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide (CID 103877884) is 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide is CCCNC(=O)CNc1c(Br)cncc1[N+](=O)[O-].
What is the InChIKey of 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide?
The InChIKey is KZCINFYWWFDTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O3/c1-2-3-13-9(16)6-14-10-7(11)4-12-5-8(10)15(17)18/h4-5H,2-3,6H2,1H3,(H,12,14)(H,13,16).
What are the key properties of 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide?
2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide 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 2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide is sourced from PubChem (CID 103877884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).