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

C11H16N4O4 — CID 80789885

IUPACethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(=O)OCC)n1
InChIInChI=1S/C11H16N4O4/c1-3-12-9-6-5-8(15(17)18)11(14-9)13-7-10(16)19-4-2/h5-6H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeyKTCVYZDZHFYMIO-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.40
Rot. Bonds7

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

ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate (PubChem CID 80789885) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
PubChem CID80789885
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Nameethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
SMILESCCNc1ccc([N+](=O)[O-])c(NCC(=O)OCC)n1
InChIInChI=1S/C11H16N4O4/c1-3-12-9-6-5-8(15(17)18)11(14-9)13-7-10(16)19-4-2/h5-6H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeyKTCVYZDZHFYMIO-UHFFFAOYSA-N
XLogP1.40
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N-methylacetamide
CID 80782745
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-2,2-dimethylpropanamide
CID 106280492
3-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280684
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
6-N-ethyl-3-nitro-2-N-propan-2-ylpyridine-2,6-diamine
CID 80765185
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
CID 106347523
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
ethyl 2-(2,6-dinitroanilino)acetate
CID 14002039
6-N-ethyl-3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82947445
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]pentan-1-ol
CID 80852386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate (CID 80789885) is ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate is CCNc1ccc([N+](=O)[O-])c(NCC(=O)OCC)n1.
What is the InChIKey of ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate?
The InChIKey is KTCVYZDZHFYMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-3-12-9-6-5-8(15(17)18)11(14-9)13-7-10(16)19-4-2/h5-6H,3-4,7H2,1-2H3,(H2,12,13,14).
What are the key properties of ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate?
ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate has a molecular weight of 268.27 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate is sourced from PubChem (CID 80789885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).