N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide

C11H17N5O2 — CID 54141821

IUPACN'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide
SMILESCN(C)N=C(C[N+](=O)[O-])N(C)Cc1cccnc1
InChIInChI=1S/C11H17N5O2/c1-14(2)13-11(9-16(17)18)15(3)8-10-5-4-6-12-7-10/h4-7H,8-9H2,1-3H3
InChIKeyOBPXWKZNARAGOE-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.67
Rot. Bonds5

About N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide

N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide (PubChem CID 54141821) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide
PubChem CID54141821
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide
SMILESCN(C)N=C(C[N+](=O)[O-])N(C)Cc1cccnc1
InChIInChI=1S/C11H17N5O2/c1-14(2)13-11(9-16(17)18)15(3)8-10-5-4-6-12-7-10/h4-7H,8-9H2,1-3H3
InChIKeyOBPXWKZNARAGOE-UHFFFAOYSA-N
XLogP0.67
TPSA74.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

(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
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine
CID 91227633
5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 60876600
N-methyl-2-(methylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 43563676
2-chloro-1-nitro-1-(pyridin-3-ylmethyl)guanidine
CID 70249226
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687

Frequently Asked Questions

What is the IUPAC name of N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide?
The IUPAC name of N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide (CID 54141821) is N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide.
What is the SMILES notation for N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide?
The canonical SMILES for N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide is CN(C)N=C(C[N+](=O)[O-])N(C)Cc1cccnc1.
What is the InChIKey of N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide?
The InChIKey is OBPXWKZNARAGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-14(2)13-11(9-16(17)18)15(3)8-10-5-4-6-12-7-10/h4-7H,8-9H2,1-3H3.
What are the key properties of N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide?
N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide has a molecular weight of 251.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dimethylamino)-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)ethanimidamide is sourced from PubChem (CID 54141821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).