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

C20H23N5O4 — CID 109261697

IUPACN-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C20H23N5O4/c1-14(26)23-16-2-4-17(5-3-16)24-18(27)15-12-21-19(22-13-15)25-8-6-20(7-9-25)28-10-11-29-20/h2-5,12-13H,6-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyDXNPUTCYFBMZBW-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.03
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide (PubChem CID 109261697) has the molecular formula C20H23N5O4 and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
PubChem CID109261697
Molecular FormulaC20H23N5O4
Molecular Weight397.44 g/mol
Exact Mass397.18
IUPAC NameN-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1
InChIInChI=1S/C20H23N5O4/c1-14(26)23-16-2-4-17(5-3-16)24-18(27)15-12-21-19(22-13-15)25-8-6-20(7-9-25)28-10-11-29-20/h2-5,12-13H,6-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyDXNPUTCYFBMZBW-UHFFFAOYSA-N
XLogP2.03
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261675
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 109261642
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propylpyrimidine-5-carboxamide
CID 109246524
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
N-(4-acetylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109309972
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
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-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109174068
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109174046

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide (CID 109261697) is N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(N3CCC4(CC3)OCCO4)nc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
The InChIKey is DXNPUTCYFBMZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4/c1-14(26)23-16-2-4-17(5-3-16)24-18(27)15-12-21-19(22-13-15)25-8-6-20(7-9-25)28-10-11-29-20/h2-5,12-13H,6-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide?
N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109261697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).