(2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide

C17H25F2N3O — CID 141402730

IUPAC(2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide
SMILESN#CCNC(=O)[C@H](CC(F)(F)CC1CC1)N1CCC2(CC1)CC2
InChIInChI=1S/C17H25F2N3O/c18-17(19,11-13-1-2-13)12-14(15(23)21-8-7-20)22-9-5-16(3-4-16)6-10-22/h13-14H,1-6,8-12H2,(H,21,23)/t14-/m0/s1
InChIKeyUDZNHFPRDOZSMG-AWEZNQCLSA-N
MW325.40 g/mol
LogP2.70
Rot. Bonds7

About (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide

(2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide (PubChem CID 141402730) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide.

Molecular Properties

Compound Name(2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide
PubChem CID141402730
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC Name(2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide
SMILESN#CCNC(=O)[C@H](CC(F)(F)CC1CC1)N1CCC2(CC1)CC2
InChIInChI=1S/C17H25F2N3O/c18-17(19,11-13-1-2-13)12-14(15(23)21-8-7-20)22-9-5-16(3-4-16)6-10-22/h13-14H,1-6,8-12H2,(H,21,23)/t14-/m0/s1
InChIKeyUDZNHFPRDOZSMG-AWEZNQCLSA-N
XLogP2.70
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide 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 (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide?
The IUPAC name of (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide (CID 141402730) is (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide.
What is the SMILES notation for (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide?
The canonical SMILES for (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide is N#CCNC(=O)[C@H](CC(F)(F)CC1CC1)N1CCC2(CC1)CC2.
What is the InChIKey of (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide?
The InChIKey is UDZNHFPRDOZSMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25F2N3O/c18-17(19,11-13-1-2-13)12-14(15(23)21-8-7-20)22-9-5-16(3-4-16)6-10-22/h13-14H,1-6,8-12H2,(H,21,23)/t14-/m0/s1.
What are the key properties of (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide?
(2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide has a molecular weight of 325.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-azaspiro[2.5]octan-6-yl)-N-(cyanomethyl)-5-cyclopropyl-4,4-difluoropentanamide is sourced from PubChem (CID 141402730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).