N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

C22H31N7O3 — CID 146067227

IUPACN,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCC(C)c1nnc(C2CC3(CCN(C(=O)c4ccncn4)CC3)CN2CC(=O)N(C)C)o1
InChIInChI=1S/C22H31N7O3/c1-15(2)19-25-26-20(32-19)17-11-22(13-29(17)12-18(30)27(3)4)6-9-28(10-7-22)21(31)16-5-8-23-14-24-16/h5,8,14-15,17H,6-7,9-13H2,1-4H3
InChIKeyYGEOJNOEHQIHJR-UHFFFAOYSA-N
MW441.54 g/mol
LogP1.74
Rot. Bonds5

About N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 146067227) has the molecular formula C22H31N7O3 and a molecular weight of 441.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID146067227
Molecular FormulaC22H31N7O3
Molecular Weight441.54 g/mol
Exact Mass441.25
IUPAC NameN,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCC(C)c1nnc(C2CC3(CCN(C(=O)c4ccncn4)CC3)CN2CC(=O)N(C)C)o1
InChIInChI=1S/C22H31N7O3/c1-15(2)19-25-26-20(32-19)17-11-22(13-29(17)12-18(30)27(3)4)6-9-28(10-7-22)21(31)16-5-8-23-14-24-16/h5,8,14-15,17H,6-7,9-13H2,1-4H3
InChIKeyYGEOJNOEHQIHJR-UHFFFAOYSA-N
XLogP1.74
TPSA108.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (CID 146067227) is N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is CC(C)c1nnc(C2CC3(CCN(C(=O)c4ccncn4)CC3)CN2CC(=O)N(C)C)o1.
What is the InChIKey of N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is YGEOJNOEHQIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O3/c1-15(2)19-25-26-20(32-19)17-11-22(13-29(17)12-18(30)27(3)4)6-9-28(10-7-22)21(31)16-5-8-23-14-24-16/h5,8,14-15,17H,6-7,9-13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 441.54 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 146067227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).