ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide

C17H23N5O2 — CID 143267094

IUPACethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide
SMILESC/C(=N\c1cc([N+](=O)[O-])ccc1C)NN(C)c1cccnc1.CC
InChIInChI=1S/C15H17N5O2.C2H6/c1-11-6-7-13(20(21)22)9-15(11)17-12(2)18-19(3)14-5-4-8-16-10-14;1-2/h4-10H,1-3H3,(H,17,18);1-2H3
InChIKeyQCLHZDOFRDEBCJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.02
Rot. Bonds4

About ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide

ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide (PubChem CID 143267094) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide.

Molecular Properties

Compound Nameethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide
PubChem CID143267094
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Nameethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide
SMILESC/C(=N\c1cc([N+](=O)[O-])ccc1C)NN(C)c1cccnc1.CC
InChIInChI=1S/C15H17N5O2.C2H6/c1-11-6-7-13(20(21)22)9-15(11)17-12(2)18-19(3)14-5-4-8-16-10-14;1-2/h4-10H,1-3H3,(H,17,18);1-2H3
InChIKeyQCLHZDOFRDEBCJ-UHFFFAOYSA-N
XLogP4.02
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
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'}

Analyze ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide?
The IUPAC name of ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide (CID 143267094) is ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide.
What is the SMILES notation for ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide?
The canonical SMILES for ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide is C/C(=N\c1cc([N+](=O)[O-])ccc1C)NN(C)c1cccnc1.CC.
What is the InChIKey of ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide?
The InChIKey is QCLHZDOFRDEBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2.C2H6/c1-11-6-7-13(20(21)22)9-15(11)17-12(2)18-19(3)14-5-4-8-16-10-14;1-2/h4-10H,1-3H3,(H,17,18);1-2H3.
What are the key properties of ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide?
ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide has a molecular weight of 329.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-(2-methyl-5-nitrophenyl)-N-[methyl(pyridin-3-yl)amino]ethanimidamide is sourced from PubChem (CID 143267094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).