2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine

C12H13N3O4 — CID 43784052

IUPAC2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H13N3O4/c1-2-18-12-10(4-3-7-13-12)14-8-9-5-6-11(19-9)15(16)17/h3-7,14H,2,8H2,1H3
InChIKeyQJBKLQWHJFORHW-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.59
Rot. Bonds6

About 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine

2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine (PubChem CID 43784052) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
PubChem CID43784052
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C12H13N3O4/c1-2-18-12-10(4-3-7-13-12)14-8-9-5-6-11(19-9)15(16)17/h3-7,14H,2,8H2,1H3
InChIKeyQJBKLQWHJFORHW-UHFFFAOYSA-N
XLogP2.59
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
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

2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43786255
2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 43706113
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
2-ethoxy-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 43706255
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
[5-[[(2-methoxy-3-pyridinyl)amino]methyl]furan-2-yl]methanol
CID 64579186
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219
2-ethoxy-N-(3-methylsulfanylpropyl)pyridin-3-amine
CID 43706143
2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 114050796
2-ethoxy-N-octylpyridin-3-amine
CID 43706171
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethoxypyridin-3-amine
CID 43706464

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine (CID 43784052) is 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine is CCOc1ncccc1NCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The InChIKey is QJBKLQWHJFORHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-2-18-12-10(4-3-7-13-12)14-8-9-5-6-11(19-9)15(16)17/h3-7,14H,2,8H2,1H3.
What are the key properties of 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine has a molecular weight of 263.25 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 43784052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).