1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine

C8H10N4O2 — CID 174278087

IUPAC1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine
SMILESCN(C(N)=C[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C8H10N4O2/c1-11(8(9)6-12(13)14)7-3-2-4-10-5-7/h2-6H,9H2,1H3
InChIKeyNWEXTZALSRXSLY-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.55
Rot. Bonds3

About 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine

1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine (PubChem CID 174278087) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine
PubChem CID174278087
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine
SMILESCN(C(N)=C[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C8H10N4O2/c1-11(8(9)6-12(13)14)7-3-2-4-10-5-7/h2-6H,9H2,1H3
InChIKeyNWEXTZALSRXSLY-UHFFFAOYSA-N
XLogP0.55
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.55
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

2-nitro-1-pyridin-3-ylethenamine
CID 70571818
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
formaldehyde;1-methyl-1-pyridin-3-ylhydrazine
CID 143631457
(E)-N-methyl-1-methylsulfanyl-2-nitro-N-(pyridin-3-ylmethyl)ethenamine
CID 67930851
(E)-1-N,1-N'-dimethyl-2-nitro-1-N'-(2-pyridin-3-ylethyl)ethene-1,1-diamine
CID 70158207
(E)-3-(4-aminophenyl)-N-methyl-N-pyridin-3-ylprop-2-enamide
CID 115344230
(Z)-dimethylamino-[methyl(pyridin-3-ylmethyl)amino]-(nitromethylidene)azanium;1-N,1-N'-dimethyl-2-nitro-1-N,1-N'-bis(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 158466540
N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide
CID 115549122
N-methyl-N-(2-nitrophenyl)pyridin-3-amine
CID 121011639
guanidine;pyridin-3-yl nitrate
CID 173434009
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557

Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine?
The IUPAC name of 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine (CID 174278087) is 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine.
What is the SMILES notation for 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine?
The canonical SMILES for 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine is CN(C(N)=C[N+](=O)[O-])c1cccnc1.
What is the InChIKey of 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine?
The InChIKey is NWEXTZALSRXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-11(8(9)6-12(13)14)7-3-2-4-10-5-7/h2-6H,9H2,1H3.
What are the key properties of 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine?
1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine has a molecular weight of 194.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-2-nitro-1-N'-pyridin-3-ylethene-1,1-diamine is sourced from PubChem (CID 174278087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).