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

C13H21N5O3 — CID 106280684

IUPAC3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(C)(C)C(=O)NC)n1
InChIInChI=1S/C13H21N5O3/c1-5-15-10-7-6-9(18(20)21)11(17-10)16-8-13(2,3)12(19)14-4/h6-7H,5,8H2,1-4H3,(H,14,19)(H2,15,16,17)
InChIKeyMPIWWDOMYLVOID-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.61
Rot. Bonds7

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

3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106280684) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106280684
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(C)(C)C(=O)NC)n1
InChIInChI=1S/C13H21N5O3/c1-5-15-10-7-6-9(18(20)21)11(17-10)16-8-13(2,3)12(19)14-4/h6-7H,5,8H2,1-4H3,(H,14,19)(H2,15,16,17)
InChIKeyMPIWWDOMYLVOID-UHFFFAOYSA-N
XLogP1.61
TPSA109.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.61
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]-2,2-dimethylpropanamide
CID 106280492
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280909
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386
1-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 80842246
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
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide (CID 106280684) is 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide is CCNc1ccc([N+](=O)[O-])c(NCC(C)(C)C(=O)NC)n1.
What is the InChIKey of 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is MPIWWDOMYLVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-5-15-10-7-6-9(18(20)21)11(17-10)16-8-13(2,3)12(19)14-4/h6-7H,5,8H2,1-4H3,(H,14,19)(H2,15,16,17).
What are the key properties of 3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide?
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 295.34 g/mol, XLogP of 1.61, 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]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).