N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide

C24H28N4O — CID 56925055

IUPACN-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2cnc(N3CCC4(CCC4)C3)nc2)cc1
InChIInChI=1S/C24H28N4O/c1-18(27-19(2)29)14-21-7-4-20(5-8-21)6-9-22-15-25-23(26-16-22)28-13-12-24(17-28)10-3-11-24/h4-5,7-8,15-16,18H,3,10-14,17H2,1-2H3,(H,27,29)
InChIKeyNZPCVGPGIUPXLS-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.32
Rot. Bonds4

About N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 56925055) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID56925055
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1ccc(C#Cc2cnc(N3CCC4(CCC4)C3)nc2)cc1
InChIInChI=1S/C24H28N4O/c1-18(27-19(2)29)14-21-7-4-20(5-8-21)6-9-22-15-25-23(26-16-22)28-13-12-24(17-28)10-3-11-24/h4-5,7-8,15-16,18H,3,10-14,17H2,1-2H3,(H,27,29)
InChIKeyNZPCVGPGIUPXLS-UHFFFAOYSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide (CID 56925055) is N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1ccc(C#Cc2cnc(N3CCC4(CCC4)C3)nc2)cc1.
What is the InChIKey of N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is NZPCVGPGIUPXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18(27-19(2)29)14-21-7-4-20(5-8-21)6-9-22-15-25-23(26-16-22)28-13-12-24(17-28)10-3-11-24/h4-5,7-8,15-16,18H,3,10-14,17H2,1-2H3,(H,27,29).
What are the key properties of N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[2-(6-azaspiro[3.4]octan-6-yl)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 56925055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).