7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid

C12H17N3O4 — CID 28791145

IUPAC7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H17N3O4/c16-10-8-14-9(7-15-10)12(19)13-6-4-2-1-3-5-11(17)18/h7-8H,1-6H2,(H,13,19)(H,15,16)(H,17,18)
InChIKeyAQYGEQPBLUTREZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.53
Rot. Bonds8

About 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid

7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid (PubChem CID 28791145) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid
PubChem CID28791145
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H17N3O4/c16-10-8-14-9(7-15-10)12(19)13-6-4-2-1-3-5-11(17)18/h7-8H,1-6H2,(H,13,19)(H,15,16)(H,17,18)
InChIKeyAQYGEQPBLUTREZ-UHFFFAOYSA-N
XLogP0.53
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[2-(Ethenylamino)prop-2-enoylamino]octanoic acid
CID 89351427
6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 28788663
(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789884
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789886
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791111
7-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]heptanoic acid
CID 28791175
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 43211109
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341582
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 43469877
methyl 6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoate
CID 43623251
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899608
methyl 2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-2-yl]acetate
CID 61010974

Frequently Asked Questions

What is the IUPAC name of 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid (CID 28791145) is 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid?
The InChIKey is AQYGEQPBLUTREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-10-8-14-9(7-15-10)12(19)13-6-4-2-1-3-5-11(17)18/h7-8H,1-6H2,(H,13,19)(H,15,16)(H,17,18).
What are the key properties of 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid?
7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 28791145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).