4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H19N3O4 — CID 43341495

IUPAC4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2c[nH]c(=O)cn2)(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-2-9-3-5-14(6-4-9,13(20)21)17-12(19)10-7-16-11(18)8-15-10/h7-9H,2-6H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGSUDDKNSBCJBIQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.92
Rot. Bonds4

About 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341495) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341495
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2c[nH]c(=O)cn2)(C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-2-9-3-5-14(6-4-9,13(20)21)17-12(19)10-7-16-11(18)8-15-10/h7-9H,2-6H2,1H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyGSUDDKNSBCJBIQ-UHFFFAOYSA-N
XLogP0.92
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.92
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
4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341368
4-Methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341377
4-Ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341504
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341582
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
5-methyl-4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]ethyl]hexanoic acid
CID 64345532
4-ethyl-6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 64351202

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341495) is 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2c[nH]c(=O)cn2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GSUDDKNSBCJBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-9-3-5-14(6-4-9,13(20)21)17-12(19)10-7-16-11(18)8-15-10/h7-9H,2-6H2,1H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).