3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide

C12H19N5O3 — CID 106280492

IUPAC3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H19N5O3/c1-4-14-9-6-5-8(17(19)20)10(16-9)15-7-12(2,3)11(13)18/h5-6H,4,7H2,1-3H3,(H2,13,18)(H2,14,15,16)
InChIKeyWVTLOHSQJVIKFA-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.35
Rot. Bonds7

About 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide

3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide (PubChem CID 106280492) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
PubChem CID106280492
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(C)(C)C(N)=O)n1
InChIInChI=1S/C12H19N5O3/c1-4-14-9-6-5-8(17(19)20)10(16-9)15-7-12(2,3)11(13)18/h5-6H,4,7H2,1-3H3,(H2,13,18)(H2,14,15,16)
InChIKeyWVTLOHSQJVIKFA-UHFFFAOYSA-N
XLogP1.35
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280684
ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
CID 106347523
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
3-[(2-chloro-5-nitropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106279542
2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819815
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide (CID 106280492) is 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide is CCNc1ccc([N+](=O)[O-])c(NCC(C)(C)C(N)=O)n1.
What is the InChIKey of 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide?
The InChIKey is WVTLOHSQJVIKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-4-14-9-6-5-8(17(19)20)10(16-9)15-7-12(2,3)11(13)18/h5-6H,4,7H2,1-3H3,(H2,13,18)(H2,14,15,16).
What are the key properties of 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide?
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide has a molecular weight of 281.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106280492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).