N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide

C20H23N3O4 — CID 97007270

IUPACN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
SMILESCc1cccc(Oc2ncccc2NC(=O)C(=O)N2CCC[C@@H](O)C2)c1C
InChIInChI=1S/C20H23N3O4/c1-13-6-3-9-17(14(13)2)27-19-16(8-4-10-21-19)22-18(25)20(26)23-11-5-7-15(24)12-23/h3-4,6,8-10,15,24H,5,7,11-12H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyNGHUITTYTOIEIE-OAHLLOKOSA-N
MW369.42 g/mol
LogP2.41
Rot. Bonds3

About N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide

N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide (PubChem CID 97007270) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
PubChem CID97007270
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
SMILESCc1cccc(Oc2ncccc2NC(=O)C(=O)N2CCC[C@@H](O)C2)c1C
InChIInChI=1S/C20H23N3O4/c1-13-6-3-9-17(14(13)2)27-19-16(8-4-10-21-19)22-18(25)20(26)23-11-5-7-15(24)12-23/h3-4,6,8-10,15,24H,5,7,11-12H2,1-2H3,(H,22,25)/t15-/m1/s1
InChIKeyNGHUITTYTOIEIE-OAHLLOKOSA-N
XLogP2.41
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide 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 N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide (CID 97007270) is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide is Cc1cccc(Oc2ncccc2NC(=O)C(=O)N2CCC[C@@H](O)C2)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide?
The InChIKey is NGHUITTYTOIEIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-6-3-9-17(14(13)2)27-19-16(8-4-10-21-19)22-18(25)20(26)23-11-5-7-15(24)12-23/h3-4,6,8-10,15,24H,5,7,11-12H2,1-2H3,(H,22,25)/t15-/m1/s1.
What are the key properties of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide?
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide has a molecular weight of 369.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 97007270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).