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

C18H19ClN4O3 — CID 109286066

IUPACN-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C18H19ClN4O3/c19-13-3-1-2-4-14(13)22-17(24)15-11-21-16(12-20-15)23-7-5-18(6-8-23)25-9-10-26-18/h1-4,11-12H,5-10H2,(H,22,24)
InChIKeyBVZOQTNQDLPIPD-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.73
Rot. Bonds3

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

N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide (PubChem CID 109286066) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
PubChem CID109286066
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC NameN-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(N2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C18H19ClN4O3/c19-13-3-1-2-4-14(13)22-17(24)15-11-21-16(12-20-15)23-7-5-18(6-8-23)25-9-10-26-18/h1-4,11-12H,5-10H2,(H,22,24)
InChIKeyBVZOQTNQDLPIPD-UHFFFAOYSA-N
XLogP2.73
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide
CID 109286094
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109193919
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282193
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109123532
N-(2-methoxyphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273814
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
5-(azepan-1-yl)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109289350
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261676
4-chloro-N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]benzamide
CID 113014074
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide (CID 109286066) is N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(N2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide?
The InChIKey is BVZOQTNQDLPIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-13-3-1-2-4-14(13)22-17(24)15-11-21-16(12-20-15)23-7-5-18(6-8-23)25-9-10-26-18/h1-4,11-12H,5-10H2,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide?
N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109286066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).