N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine

C8H12N4O2 — CID 62658550

IUPACN-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
SMILESCNCCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C8H12N4O2/c1-9-4-5-10-7-2-3-8(11-6-7)12(13)14/h2-3,6,9-10H,4-5H2,1H3
InChIKeyUDXIJKBQQMQQLH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.62
Rot. Bonds5

About N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine

N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine (PubChem CID 62658550) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
PubChem CID62658550
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
SMILESCNCCNc1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C8H12N4O2/c1-9-4-5-10-7-2-3-8(11-6-7)12(13)14/h2-3,6,9-10H,4-5H2,1H3
InChIKeyUDXIJKBQQMQQLH-UHFFFAOYSA-N
XLogP0.62
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-6-nitropyridin-3-amine
CID 60631644
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
6-nitro-N-[(E)-pent-3-enyl]pyridin-3-amine
CID 115633982
N-(4-methylsulfanylbutyl)-6-nitropyridin-3-amine
CID 115637425
6-nitro-N-(4,4,4-trifluorobutyl)pyridin-3-amine
CID 79040122
6-nitro-N-(3-phenylpropyl)pyridin-3-amine
CID 60631720
N,N-diethyl-3-[(6-nitro-3-pyridinyl)amino]propanamide
CID 60968024
N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
CID 103724988
N-[3-(2-methylpropoxy)propyl]-6-nitropyridin-3-amine
CID 103604292
N-benzyl-6-nitropyridin-3-amine
CID 55024435
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
CID 63730786

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine (CID 62658550) is N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine is CNCCNc1ccc([N+](=O)[O-])nc1.
What is the InChIKey of N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is UDXIJKBQQMQQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-9-4-5-10-7-2-3-8(11-6-7)12(13)14/h2-3,6,9-10H,4-5H2,1H3.
What are the key properties of N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine?
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 196.21 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 62658550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).