3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide

C14H19ClN4O3 — CID 172905081

IUPAC3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C14H19ClN4O3/c15-12-5-16-6-13(18-12)22-9-10-7-19(8-10)14(20)17-4-11-2-1-3-21-11/h5-6,10-11H,1-4,7-9H2,(H,17,20)
InChIKeyUAIIBMLKYGMKDY-UHFFFAOYSA-N
MW326.78 g/mol
LogP1.33
Rot. Bonds5

About 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide

3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide (PubChem CID 172905081) has the molecular formula C14H19ClN4O3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
PubChem CID172905081
Molecular FormulaC14H19ClN4O3
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CC(COc2cncc(Cl)n2)C1
InChIInChI=1S/C14H19ClN4O3/c15-12-5-16-6-13(18-12)22-9-10-7-19(8-10)14(20)17-4-11-2-1-3-21-11/h5-6,10-11H,1-4,7-9H2,(H,17,20)
InChIKeyUAIIBMLKYGMKDY-UHFFFAOYSA-N
XLogP1.33
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 171998783
N-(oxolan-2-ylmethyl)-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxymethyl]pyrrolidine-1-carboxamide
CID 154581410
3-(4-cyanopyrazol-1-yl)-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 126900520
3-(1,3-dioxolan-2-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 56505795
3,3-difluoro-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
CID 122269488
[3-[(6-chloropyrazin-2-yl)oxymethyl]azetidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 172882505
2-(chloromethyl)-6-(oxolan-2-ylmethoxy)pyrazine
CID 66467570
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875
N-(6-chloropyrazin-2-yl)-2-(oxolan-2-yl)acetamide
CID 104819962
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549
N-(oxolan-2-ylmethyl)-3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]azetidine-1-carboxamide
CID 139028928

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide (CID 172905081) is 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide is O=C(NCC1CCCO1)N1CC(COc2cncc(Cl)n2)C1.
What is the InChIKey of 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The InChIKey is UAIIBMLKYGMKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O3/c15-12-5-16-6-13(18-12)22-9-10-7-19(8-10)14(20)17-4-11-2-1-3-21-11/h5-6,10-11H,1-4,7-9H2,(H,17,20).
What are the key properties of 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrazin-2-yl)oxymethyl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 172905081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).