N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine

C10H16N4O2 — CID 114900555

IUPACN'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CCN)c1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-3-13(5-4-11)10-9(14(15)16)6-8(2)7-12-10/h6-7H,3-5,11H2,1-2H3
InChIKeyGSCLLVJZIIOBJC-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.08
Rot. Bonds5

About N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine

N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine (PubChem CID 114900555) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
PubChem CID114900555
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CCN)c1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-3-13(5-4-11)10-9(14(15)16)6-8(2)7-12-10/h6-7H,3-5,11H2,1-2H3
InChIKeyGSCLLVJZIIOBJC-UHFFFAOYSA-N
XLogP1.08
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.08
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

N'-benzyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511823
2-[ethyl-(5-methyl-3-nitro-2-pyridinyl)amino]-1-(4-methylphenyl)ethanol
CID 133356857
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 133384169
N'-ethyl-N'-(3-methyl-4-nitrophenyl)ethane-1,2-diamine
CID 114900637
N-ethyl-5-methyl-3-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106641900
2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid
CID 66280014
ethyl 2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetate
CID 66280292
3-[(5-bromo-3-nitro-2-pyridinyl)-ethylamino]propanoic acid
CID 61228645
(5-methyl-3-nitro-2-pyridinyl)methanamine;hydrochloride
CID 162421679
N'-benzyl-N'-(5-chloro-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511810
2,5-dimethyl-3-nitropyridine
CID 12626468
2-N-ethyl-5-methyl-2-N-propylpyridine-2,3-diamine
CID 66278862

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine (CID 114900555) is N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine is CCN(CCN)c1ncc(C)cc1[N+](=O)[O-].
What is the InChIKey of N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is GSCLLVJZIIOBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-13(5-4-11)10-9(14(15)16)6-8(2)7-12-10/h6-7H,3-5,11H2,1-2H3.
What are the key properties of N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine?
N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 224.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 114900555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).