1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid

C13H17N3O4 — CID 43341582

IUPAC1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H17N3O4/c17-10-8-14-9(7-15-10)11(18)16-13(12(19)20)5-3-1-2-4-6-13/h7-8H,1-6H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyRSGHYZVDJPQVMD-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.68
Rot. Bonds3

About 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 43341582) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID43341582
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H17N3O4/c17-10-8-14-9(7-15-10)11(18)16-13(12(19)20)5-3-1-2-4-6-13/h7-8H,1-6H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyRSGHYZVDJPQVMD-UHFFFAOYSA-N
XLogP0.68
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791111
7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid
CID 28791145
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162945
4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341368
4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341495
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341591
2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 61015027
3-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61291640
2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61294305
2-[1-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 61659857
4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]ethyl]heptanoic acid
CID 64343395
4-ethyl-6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 64351202

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 43341582) is 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is RSGHYZVDJPQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-10-8-14-9(7-15-10)11(18)16-13(12(19)20)5-3-1-2-4-6-13/h7-8H,1-6H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43341582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).