N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide

C18H23N5O3 — CID 166434377

IUPACN-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESN#Cc1nccc(N2CC(NC(=O)C3(O)CC3)CC3(CCOCC3)C2)n1
InChIInChI=1S/C18H23N5O3/c19-10-14-20-6-1-15(22-14)23-11-13(21-16(24)18(25)2-3-18)9-17(12-23)4-7-26-8-5-17/h1,6,13,25H,2-5,7-9,11-12H2,(H,21,24)
InChIKeyQXHLWRONUSODKO-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.36
Rot. Bonds3

About N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide

N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 166434377) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID166434377
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide
SMILESN#Cc1nccc(N2CC(NC(=O)C3(O)CC3)CC3(CCOCC3)C2)n1
InChIInChI=1S/C18H23N5O3/c19-10-14-20-6-1-15(22-14)23-11-13(21-16(24)18(25)2-3-18)9-17(12-23)4-7-26-8-5-17/h1,6,13,25H,2-5,7-9,11-12H2,(H,21,24)
InChIKeyQXHLWRONUSODKO-UHFFFAOYSA-N
XLogP0.36
TPSA111.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide 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-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide (CID 166434377) is N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide is N#Cc1nccc(N2CC(NC(=O)C3(O)CC3)CC3(CCOCC3)C2)n1.
What is the InChIKey of N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is QXHLWRONUSODKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-10-14-20-6-1-15(22-14)23-11-13(21-16(24)18(25)2-3-18)9-17(12-23)4-7-26-8-5-17/h1,6,13,25H,2-5,7-9,11-12H2,(H,21,24).
What are the key properties of N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide?
N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanopyrimidin-4-yl)-9-oxa-2-azaspiro[5.5]undecan-4-yl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 166434377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).