2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol

C15H17ClN4O4 — CID 155666825

IUPAC2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol
SMILESCOc1cc(C)c([N+](=O)[O-])c(N(CCO)Cc2ccc(Cl)nc2)n1
InChIInChI=1S/C15H17ClN4O4/c1-10-7-13(24-2)18-15(14(10)20(22)23)19(5-6-21)9-11-3-4-12(16)17-8-11/h3-4,7-8,21H,5-6,9H2,1-2H3
InChIKeyGRHBSDVZLAAPMY-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.35
Rot. Bonds7

About 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol

2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 155666825) has the molecular formula C15H17ClN4O4 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol
PubChem CID155666825
Molecular FormulaC15H17ClN4O4
Molecular Weight352.78 g/mol
Exact Mass352.09
IUPAC Name2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol
SMILESCOc1cc(C)c([N+](=O)[O-])c(N(CCO)Cc2ccc(Cl)nc2)n1
InChIInChI=1S/C15H17ClN4O4/c1-10-7-13(24-2)18-15(14(10)20(22)23)19(5-6-21)9-11-3-4-12(16)17-8-11/h3-4,7-8,21H,5-6,9H2,1-2H3
InChIKeyGRHBSDVZLAAPMY-UHFFFAOYSA-N
XLogP2.35
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol 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 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol (CID 155666825) is 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol is COc1cc(C)c([N+](=O)[O-])c(N(CCO)Cc2ccc(Cl)nc2)n1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is GRHBSDVZLAAPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O4/c1-10-7-13(24-2)18-15(14(10)20(22)23)19(5-6-21)9-11-3-4-12(16)17-8-11/h3-4,7-8,21H,5-6,9H2,1-2H3.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol?
2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 352.78 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methyl-(6-methoxy-4-methyl-3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 155666825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).