1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone

C18H21N5O3 — CID 157469868

IUPAC1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone
SMILESNc1nccnc1C(=O)Cc1cnccc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H21N5O3/c19-17-16(21-5-6-22-17)15(24)11-13-12-20-4-1-14(13)23-7-2-18(3-8-23)25-9-10-26-18/h1,4-6,12H,2-3,7-11H2,(H2,19,22)
InChIKeyBUXGFDZZRKCGER-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.22
Rot. Bonds4

About 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone

1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone (PubChem CID 157469868) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone
PubChem CID157469868
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone
SMILESNc1nccnc1C(=O)Cc1cnccc1N1CCC2(CC1)OCCO2
InChIInChI=1S/C18H21N5O3/c19-17-16(21-5-6-22-17)15(24)11-13-12-20-4-1-14(13)23-7-2-18(3-8-23)25-9-10-26-18/h1,4-6,12H,2-3,7-11H2,(H2,19,22)
InChIKeyBUXGFDZZRKCGER-UHFFFAOYSA-N
XLogP1.22
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone (CID 157469868) is 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone is Nc1nccnc1C(=O)Cc1cnccc1N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone?
The InChIKey is BUXGFDZZRKCGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c19-17-16(21-5-6-22-17)15(24)11-13-12-20-4-1-14(13)23-7-2-18(3-8-23)25-9-10-26-18/h1,4-6,12H,2-3,7-11H2,(H2,19,22).
What are the key properties of 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone?
1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone has a molecular weight of 355.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrazin-2-yl)-2-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 157469868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).