N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide

C20H22N4O4 — CID 53166482

IUPACN-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H22N4O4/c1-14-2-4-15(5-3-14)18(25)23-17-16(21-8-9-22-17)19(26)24-10-6-20(7-11-24)27-12-13-28-20/h2-5,8-9H,6-7,10-13H2,1H3,(H,22,23,25)
InChIKeyXSDTWKONVSRXBR-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.02
Rot. Bonds3

About N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide

N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide (PubChem CID 53166482) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide
PubChem CID53166482
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C20H22N4O4/c1-14-2-4-15(5-3-14)18(25)23-17-16(21-8-9-22-17)19(26)24-10-6-20(7-11-24)27-12-13-28-20/h2-5,8-9H,6-7,10-13H2,1H3,(H,22,23,25)
InChIKeyXSDTWKONVSRXBR-UHFFFAOYSA-N
XLogP2.02
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide?
The IUPAC name of N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide (CID 53166482) is N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nccnc2C(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide?
The InChIKey is XSDTWKONVSRXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14-2-4-15(5-3-14)18(25)23-17-16(21-8-9-22-17)19(26)24-10-6-20(7-11-24)27-12-13-28-20/h2-5,8-9H,6-7,10-13H2,1H3,(H,22,23,25).
What are the key properties of N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide?
N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide has a molecular weight of 382.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrazin-2-yl]-4-methylbenzamide is sourced from PubChem (CID 53166482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).