5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine

C24H26N4O5 — CID 21111304

IUPAC5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine
SMILESNc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H26N4O5/c25-24-23(33-17-18-2-1-3-21(14-18)28(29)30)15-20(16-26-24)19-4-6-22(7-5-19)32-13-10-27-8-11-31-12-9-27/h1-7,14-16H,8-13,17H2,(H2,25,26)
InChIKeyGGBBFUHTLXMIEO-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.53
Rot. Bonds9

About 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine

5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine (PubChem CID 21111304) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine
PubChem CID21111304
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine
SMILESNc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H26N4O5/c25-24-23(33-17-18-2-1-3-21(14-18)28(29)30)15-20(16-26-24)19-4-6-22(7-5-19)32-13-10-27-8-11-31-12-9-27/h1-7,14-16H,8-13,17H2,(H2,25,26)
InChIKeyGGBBFUHTLXMIEO-UHFFFAOYSA-N
XLogP3.53
TPSA112.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine 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 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine?
The IUPAC name of 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine (CID 21111304) is 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine.
What is the SMILES notation for 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine?
The canonical SMILES for 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine is Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine?
The InChIKey is GGBBFUHTLXMIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c25-24-23(33-17-18-2-1-3-21(14-18)28(29)30)15-20(16-26-24)19-4-6-22(7-5-19)32-13-10-27-8-11-31-12-9-27/h1-7,14-16H,8-13,17H2,(H2,25,26).
What are the key properties of 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine?
5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine has a molecular weight of 450.50 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-morpholin-4-ylethoxy)phenyl]-3-[(3-nitrophenyl)methoxy]pyridin-2-amine is sourced from PubChem (CID 21111304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).