2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol

C14H19N3O4 — CID 126815933

IUPAC2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccnc1N1CCOCC1C1CCCC1O
InChIInChI=1S/C14H19N3O4/c18-13-5-1-3-10(13)12-9-21-8-7-16(12)14-11(17(19)20)4-2-6-15-14/h2,4,6,10,12-13,18H,1,3,5,7-9H2
InChIKeyHIJSRYWCRVMPAM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol

2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol (PubChem CID 126815933) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
PubChem CID126815933
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol
SMILESO=[N+]([O-])c1cccnc1N1CCOCC1C1CCCC1O
InChIInChI=1S/C14H19N3O4/c18-13-5-1-3-10(13)12-9-21-8-7-16(12)14-11(17(19)20)4-2-6-15-14/h2,4,6,10,12-13,18H,1,3,5,7-9H2
InChIKeyHIJSRYWCRVMPAM-UHFFFAOYSA-N
XLogP1.36
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.36
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'}

Analyze 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol 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-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol (CID 126815933) is 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol is O=[N+]([O-])c1cccnc1N1CCOCC1C1CCCC1O.
What is the InChIKey of 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol?
The InChIKey is HIJSRYWCRVMPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-13-5-1-3-10(13)12-9-21-8-7-16(12)14-11(17(19)20)4-2-6-15-14/h2,4,6,10,12-13,18H,1,3,5,7-9H2.
What are the key properties of 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol?
2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol has a molecular weight of 293.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-nitro-2-pyridinyl)morpholin-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 126815933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).