2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

C21H26N4O4 — CID 109260452

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C21H26N4O4/c1-27-18-4-2-16(3-5-18)6-9-22-19(26)17-14-23-20(24-15-17)25-10-7-21(8-11-25)28-12-13-29-21/h2-5,14-15H,6-13H2,1H3,(H,22,26)
InChIKeyOKXACPJPILIXJV-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.80
Rot. Bonds6

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109260452) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109260452
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C21H26N4O4/c1-27-18-4-2-16(3-5-18)6-9-22-19(26)17-14-23-20(24-15-17)25-10-7-21(8-11-25)28-12-13-29-21/h2-5,14-15H,6-13H2,1H3,(H,22,26)
InChIKeyOKXACPJPILIXJV-UHFFFAOYSA-N
XLogP1.80
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propylpyrimidine-5-carboxamide
CID 109246524
N-[3-(dimethylamino)propyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109253348
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985514
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306452
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158294
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250135
2-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109254777
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258830
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190371
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261697
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261642
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351353

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide (CID 109260452) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is COc1ccc(CCNC(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is OKXACPJPILIXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-27-18-4-2-16(3-5-18)6-9-22-19(26)17-14-23-20(24-15-17)25-10-7-21(8-11-25)28-12-13-29-21/h2-5,14-15H,6-13H2,1H3,(H,22,26).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109260452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).