N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine

C14H16N4O2 — CID 106511766

IUPACN'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O2/c15-8-9-17(11-12-4-2-1-3-5-12)14-7-6-13(10-16-14)18(19)20/h1-7,10H,8-9,11,15H2
InChIKeyLJMPSBFWCPLGNP-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.96
Rot. Bonds6

About N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine

N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 106511766) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID106511766
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H16N4O2/c15-8-9-17(11-12-4-2-1-3-5-12)14-7-6-13(10-16-14)18(19)20/h1-7,10H,8-9,11,15H2
InChIKeyLJMPSBFWCPLGNP-UHFFFAOYSA-N
XLogP1.96
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-nitro-N-[(4-phenylphenyl)methyl]-N-prop-2-enylpyridin-2-amine
CID 67719635
N'-benzyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 106511813
N'-benzyl-N'-(2-bromo-4-nitrophenyl)ethane-1,2-diamine
CID 106511695
4-[[(5-nitro-2-pyridinyl)-propylamino]methyl]benzonitrile
CID 133384023
N'-benzyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511823
N'-benzyl-N'-(5-chloro-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511810
N'-benzyl-N'-(3-methyl-5-nitroimidazol-4-yl)ethane-1,2-diamine
CID 106511814
3-[ethyl-(5-nitro-2-pyridinyl)amino]propanoic acid
CID 61009888
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
CID 79826901
N'-benzyl-N'-(6-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511752
N'-(2-aminoethyl)-N'-[(4-nitrophenyl)methyl]ethane-1,2-diamine
CID 14697636

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine (CID 106511766) is N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine is NCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is LJMPSBFWCPLGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-8-9-17(11-12-4-2-1-3-5-12)14-7-6-13(10-16-14)18(19)20/h1-7,10H,8-9,11,15H2.
What are the key properties of N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine?
N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 272.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 106511766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).