7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide

C12H17N3O3 — CID 134570496

IUPAC7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCOCCOCC1
InChIInChI=1S/C12H17N3O3/c13-11(16)12(10-9-14-3-4-15-10)1-5-17-7-8-18-6-2-12/h3-4,9H,1-2,5-8H2,(H2,13,16)
InChIKeyPLXYMOITUGGWNC-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.03
Rot. Bonds2

About 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide

7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide (PubChem CID 134570496) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide.

Molecular Properties

Compound Name7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide
PubChem CID134570496
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCOCCOCC1
InChIInChI=1S/C12H17N3O3/c13-11(16)12(10-9-14-3-4-15-10)1-5-17-7-8-18-6-2-12/h3-4,9H,1-2,5-8H2,(H2,13,16)
InChIKeyPLXYMOITUGGWNC-UHFFFAOYSA-N
XLogP0.03
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-pyrazin-2-yl-1,4-dioxonan-7-amine
CID 134570495
N-hydroxypyrazine-2-carboxamide;4-naphthalen-2-yloxane-4-carboxamide
CID 175574101
1-pyrazin-2-ylcyclohexane-1-carboxylic acid
CID 96767473
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
N-(4-methyloxan-4-yl)pyrazine-2-carboxamide
CID 138992437
1-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 171758467
1-pyrazin-2-ylcyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 67404879
4-(3-methylimidazol-4-yl)oxane-4-carboxylic acid
CID 96775421
3-morpholin-4-yl-2-pyrazin-2-ylsulfanylpropanamide
CID 22767808
4-[[(3-chloro-4-pyridinyl)amino]methyl]oxane-4-carboxamide
CID 84595497
1-pyrazin-2-ylcycloheptan-1-amine
CID 130545536
2-methyl-2-morpholin-4-yl-1-pyrazin-2-ylpropan-1-one
CID 79045873

Frequently Asked Questions

What is the IUPAC name of 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide?
The IUPAC name of 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide (CID 134570496) is 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide.
What is the SMILES notation for 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide?
The canonical SMILES for 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide is NC(=O)C1(c2cnccn2)CCOCCOCC1.
What is the InChIKey of 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide?
The InChIKey is PLXYMOITUGGWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-11(16)12(10-9-14-3-4-15-10)1-5-17-7-8-18-6-2-12/h3-4,9H,1-2,5-8H2,(H2,13,16).
What are the key properties of 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide?
7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrazin-2-yl-1,4-dioxonane-7-carboxamide is sourced from PubChem (CID 134570496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).