2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine

C14H18N4O3 — CID 43783660

IUPAC2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C14H18N4O3/c1-3-17(4-2)13-7-5-11(9-16-13)15-10-12-6-8-14(21-12)18(19)20/h5-9,15H,3-4,10H2,1-2H3
InChIKeyOMYVDTGQAGOCOI-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.04
Rot. Bonds7

About 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine

2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 43783660) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine
PubChem CID43783660
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C14H18N4O3/c1-3-17(4-2)13-7-5-11(9-16-13)15-10-12-6-8-14(21-12)18(19)20/h5-9,15H,3-4,10H2,1-2H3
InChIKeyOMYVDTGQAGOCOI-UHFFFAOYSA-N
XLogP3.04
TPSA84.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.04
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

4-ethyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43764272
N,N-dimethyl-4-[(5-nitrofuran-2-yl)methylamino]benzamide
CID 43780630
N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine
CID 81266383
5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697513
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
CID 132585338
N-[(5-nitrofuran-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43760615
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(5-nitrofuran-2-yl)methanamine
CID 103275263
2-chloro-5-methyl-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 114050796
2-N,2-N-diethyl-5-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 55242219
2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine
CID 66407638
2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43784052

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine (CID 43783660) is 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine is CCN(CC)c1ccc(NCc2ccc([N+](=O)[O-])o2)cn1.
What is the InChIKey of 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is OMYVDTGQAGOCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-17(4-2)13-7-5-11(9-16-13)15-10-12-6-8-14(21-12)18(19)20/h5-9,15H,3-4,10H2,1-2H3.
What are the key properties of 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine?
2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine has a molecular weight of 290.32 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 43783660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).