ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate

C11H15N3O4 — CID 62006831

IUPACethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(CC)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H15N3O4/c1-3-13(8-11(15)18-4-2)10-7-9(14(16)17)5-6-12-10/h5-7H,3-4,8H2,1-2H3
InChIKeyHAGXLUVNEHVVTP-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.38
Rot. Bonds6

About ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate

ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate (PubChem CID 62006831) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
PubChem CID62006831
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CN(CC)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C11H15N3O4/c1-3-13(8-11(15)18-4-2)10-7-9(14(16)17)5-6-12-10/h5-7H,3-4,8H2,1-2H3
InChIKeyHAGXLUVNEHVVTP-UHFFFAOYSA-N
XLogP1.38
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
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

methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62005391
ethyl 2-[ethyl(pyrimidin-4-yl)amino]acetate
CID 62006262
ethyl 2-[(3-bromo-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 79523362
ethyl 2-(N-ethyl-3-methyl-5-nitroanilino)acetate
CID 112649677
ethyl 2-[(3-cyano-5-nitro-2-pyridinyl)-ethylamino]acetate
CID 62099895
N-(4-nitro-2-pyridinyl)-N-oxidoacetamide
CID 45116343
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
ethyl 2-[(5-methyl-4-nitro-2-pyridinyl)-propylamino]acetate
CID 83271526
ethyl 2-(4-bromo-N-ethyl-2-nitroanilino)acetate
CID 62005700
ethyl 4-(4-nitro-2-pyridinyl)but-3-enoate
CID 170796100
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680
N-methyl-N-(4-nitro-2-pyridinyl)acetamide
CID 166160271

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate (CID 62006831) is ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate is CCOC(=O)CN(CC)c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate?
The InChIKey is HAGXLUVNEHVVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-13(8-11(15)18-4-2)10-7-9(14(16)17)5-6-12-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate?
ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate has a molecular weight of 253.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate is sourced from PubChem (CID 62006831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).