1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H17N3O4 — CID 83213900

IUPAC1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H17N3O4/c1-13(12(19)20)5-3-2-4-9(13)16-11(18)8-6-15-10(17)7-14-8/h6-7,9H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyHMTCIHNZEVASCQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.53
Rot. Bonds3

About 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 83213900) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID83213900
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCCC1NC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C13H17N3O4/c1-13(12(19)20)5-3-2-4-9(13)16-11(18)8-6-15-10(17)7-14-8/h6-7,9H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyHMTCIHNZEVASCQ-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83211015
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213832
1-methyl-2-(pyridazine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 104669963
1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 82760430
1-methyl-2-[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83212187
2-[(6-chloropyridine-3-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760527
1-methyl-2-[(5-methylfuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214662
2-(furan-2-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214512
1-methyl-2-(thiophene-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214052
2-(furan-3-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214058
1-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136972367
5-[(2,2-dimethylcyclopentyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120692079

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 83213900) is 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCCC1NC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HMTCIHNZEVASCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-13(12(19)20)5-3-2-4-9(13)16-11(18)8-6-15-10(17)7-14-8/h6-7,9H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83213900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).