1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine

C10H14N4O3 — CID 59896622

IUPAC1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
SMILESCNC(=C[N+](=O)[O-])N(Cc1cccnc1)OC
InChIInChI=1S/C10H14N4O3/c1-11-10(8-14(15)16)13(17-2)7-9-4-3-5-12-6-9/h3-6,8,11H,7H2,1-2H3
InChIKeyZPRRNNPQWUXHHU-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.74
Rot. Bonds6

About 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine

1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine (PubChem CID 59896622) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
PubChem CID59896622
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
SMILESCNC(=C[N+](=O)[O-])N(Cc1cccnc1)OC
InChIInChI=1S/C10H14N4O3/c1-11-10(8-14(15)16)13(17-2)7-9-4-3-5-12-6-9/h3-6,8,11H,7H2,1-2H3
InChIKeyZPRRNNPQWUXHHU-UHFFFAOYSA-N
XLogP0.74
TPSA80.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.74
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

(E)-1-N,1-N'-dimethyl-2-nitro-1-N'-(2-pyridin-3-ylethyl)ethene-1,1-diamine
CID 70158207
(E)-N-methyl-1-methylsulfanyl-2-nitro-N-(pyridin-3-ylmethyl)ethenamine
CID 67930851
(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
(Z)-1-N'-butyl-1-N'-methyl-2-nitro-1-N-(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 67930871
2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine
CID 70157675
1-methyl-2-(pyridin-3-ylmethyl)hydrazine;1-nitroethene
CID 70383362
N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide
CID 54141821
1,1-dimethyl-2-(pyridin-3-ylmethyl)hydrazine;1-nitroethene
CID 70383096
N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 133270679
(E)-2-nitro-1-N-pentyl-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 15452246
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984

Frequently Asked Questions

What is the IUPAC name of 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine (CID 59896622) is 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine is CNC(=C[N+](=O)[O-])N(Cc1cccnc1)OC.
What is the InChIKey of 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine?
The InChIKey is ZPRRNNPQWUXHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-11-10(8-14(15)16)13(17-2)7-9-4-3-5-12-6-9/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine?
1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine has a molecular weight of 238.25 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine is sourced from PubChem (CID 59896622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).