2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid

C13H17N3O4 — CID 64672170

IUPAC2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2c[nH]c(=O)cn2)CCCCC1
InChIInChI=1S/C13H17N3O4/c17-10-8-14-9(7-15-10)12(20)16-13(6-11(18)19)4-2-1-3-5-13/h7-8H,1-6H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyJDLSJEMPHWTLHJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 64672170) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID64672170
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2c[nH]c(=O)cn2)CCCCC1
InChIInChI=1S/C13H17N3O4/c17-10-8-14-9(7-15-10)12(20)16-13(6-11(18)19)4-2-1-3-5-13/h7-8H,1-6H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyJDLSJEMPHWTLHJ-UHFFFAOYSA-N
XLogP0.68
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid (CID 64672170) is 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2c[nH]c(=O)cn2)CCCCC1.
What is the InChIKey of 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is JDLSJEMPHWTLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-10-8-14-9(7-15-10)12(20)16-13(6-11(18)19)4-2-1-3-5-13/h7-8H,1-6H2,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64672170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).