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

C18H18F2N4O3 — CID 109286094

IUPACN-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnc(N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C18H18F2N4O3/c19-12-1-2-14(13(20)9-12)23-17(25)15-10-22-16(11-21-15)24-5-3-18(4-6-24)26-7-8-27-18/h1-2,9-11H,3-8H2,(H,23,25)
InChIKeyULKNXCINKDIVGW-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.35
Rot. Bonds3

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

N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide (PubChem CID 109286094) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
PubChem CID109286094
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC NameN-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cnc(N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C18H18F2N4O3/c19-12-1-2-14(13(20)9-12)23-17(25)15-10-22-16(11-21-15)24-5-3-18(4-6-24)26-7-8-27-18/h1-2,9-11H,3-8H2,(H,23,25)
InChIKeyULKNXCINKDIVGW-UHFFFAOYSA-N
XLogP2.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
CID 109286066
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109160028
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109123532
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
N-(2,4-difluorophenyl)-5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288660
N-(2,6-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109352559
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282193
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]acetamide
CID 113014035
4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide (CID 109286094) is N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1cnc(N2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide?
The InChIKey is ULKNXCINKDIVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c19-12-1-2-14(13(20)9-12)23-17(25)15-10-22-16(11-21-15)24-5-3-18(4-6-24)26-7-8-27-18/h1-2,9-11H,3-8H2,(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide?
N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide has a molecular weight of 376.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109286094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).