2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine

C12H14N4O3 — CID 80796190

IUPAC2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine
SMILESCCN(Cc1ccco1)c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O3/c1-2-15(8-9-4-3-7-19-9)12-10(16(17)18)5-6-11(13)14-12/h3-7H,2,8H2,1H3,(H2,13,14)
InChIKeyDZUBMJXTXHZDLM-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.19
Rot. Bonds5

About 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine

2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine (PubChem CID 80796190) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine
PubChem CID80796190
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine
SMILESCCN(Cc1ccco1)c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O3/c1-2-15(8-9-4-3-7-19-9)12-10(16(17)18)5-6-11(13)14-12/h3-7H,2,8H2,1H3,(H2,13,14)
InChIKeyDZUBMJXTXHZDLM-UHFFFAOYSA-N
XLogP2.19
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.19
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-N-ethyl-4-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 80795257
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
6-[ethyl(furan-2-ylmethyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81442388
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
8-N-ethyl-8-N-(furan-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80795560
5-[ethyl(furan-2-ylmethyl)amino]-2-nitrobenzoic acid
CID 61421164
2-N-[4-(furan-2-yl)butan-2-yl]-3-nitropyridine-2,6-diamine
CID 80805005
4-[bis(furan-2-ylmethyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 55511028
2-N-methyl-3-nitro-2-N-pentan-2-ylpyridine-2,6-diamine
CID 80793650
2-N-methyl-2-N-(4-methylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80809884
2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
2-[(6-chloro-3-nitro-2-pyridinyl)-ethylamino]acetamide
CID 103103661

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine (CID 80796190) is 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine is CCN(Cc1ccco1)c1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine?
The InChIKey is DZUBMJXTXHZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-2-15(8-9-4-3-7-19-9)12-10(16(17)18)5-6-11(13)14-12/h3-7H,2,8H2,1H3,(H2,13,14).
What are the key properties of 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine?
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine has a molecular weight of 262.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80796190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).