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

C11H11N3O4 — CID 43786255

IUPAC2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
SMILESCOc1ncccc1NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H11N3O4/c1-17-11-9(3-2-6-12-11)13-7-8-4-5-10(18-8)14(15)16/h2-6,13H,7H2,1H3
InChIKeyDOZJCTNTRAMZCE-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.20
Rot. Bonds5

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

2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine (PubChem CID 43786255) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
PubChem CID43786255
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
SMILESCOc1ncccc1NCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H11N3O4/c1-17-11-9(3-2-6-12-11)13-7-8-4-5-10(18-8)14(15)16/h2-6,13H,7H2,1H3
InChIKeyDOZJCTNTRAMZCE-UHFFFAOYSA-N
XLogP2.20
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.20
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-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43784052
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
[5-[[(2-methoxy-3-pyridinyl)amino]methyl]furan-2-yl]methanol
CID 64579186
2-methoxy-5-methyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43761092
2,4-dibromo-5-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 103412105
N-[(5-nitrofuran-2-yl)methyl]-1H-indazol-7-amine
CID 43788098
2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 43706113
2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 114050796
4-methoxy-3-[(5-nitrofuran-2-yl)methylamino]benzoic acid
CID 63744142
2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 43721974
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-4-nitroaniline
CID 46604120

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine (CID 43786255) is 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine is COc1ncccc1NCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
The InChIKey is DOZJCTNTRAMZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-17-11-9(3-2-6-12-11)13-7-8-4-5-10(18-8)14(15)16/h2-6,13H,7H2,1H3.
What are the key properties of 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine?
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine has a molecular weight of 249.23 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 43786255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).