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

C12H19N5O3 — CID 106347523

IUPAC2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
SMILESCCNc1ccc([N+](=O)[O-])c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C12H19N5O3/c1-4-14-9-6-5-8(17(19)20)12(15-9)16-10(7(2)3)11(13)18/h5-7,10H,4H2,1-3H3,(H2,13,18)(H2,14,15,16)
InChIKeyKZLVEKACTRVUBX-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.34
Rot. Bonds7

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

2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide (PubChem CID 106347523) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
PubChem CID106347523
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
SMILESCCNc1ccc([N+](=O)[O-])c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C12H19N5O3/c1-4-14-9-6-5-8(17(19)20)12(15-9)16-10(7(2)3)11(13)18/h5-7,10H,4H2,1-3H3,(H2,13,18)(H2,14,15,16)
InChIKeyKZLVEKACTRVUBX-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide
CID 106347453
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 106345803
6-N-ethyl-2-N-(5-methylhexan-2-yl)-3-nitropyridine-2,6-diamine
CID 80838459
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114176414
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
CID 106280492
2-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80795505
ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386
6-N-ethyl-2-N-[1-(5-methylthiophen-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80784346

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide (CID 106347523) is 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide is CCNc1ccc([N+](=O)[O-])c(NC(C(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide?
The InChIKey is KZLVEKACTRVUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-4-14-9-6-5-8(17(19)20)12(15-9)16-10(7(2)3)11(13)18/h5-7,10H,4H2,1-3H3,(H2,13,18)(H2,14,15,16).
What are the key properties of 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide?
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide has a molecular weight of 281.32 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide is sourced from PubChem (CID 106347523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).