5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid

C14H19N3O4 — CID 122054843

IUPAC5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
SMILESCOC(=O)C1(CNc2cnc(C(=O)O)cn2)CCCCC1
InChIInChI=1S/C14H19N3O4/c1-21-13(20)14(5-3-2-4-6-14)9-17-11-8-15-10(7-16-11)12(18)19/h7-8H,2-6,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyOHQXCPIXEORRLM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.71
Rot. Bonds5

About 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid

5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 122054843) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
PubChem CID122054843
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
SMILESCOC(=O)C1(CNc2cnc(C(=O)O)cn2)CCCCC1
InChIInChI=1S/C14H19N3O4/c1-21-13(20)14(5-3-2-4-6-14)9-17-11-8-15-10(7-16-11)12(18)19/h7-8H,2-6,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyOHQXCPIXEORRLM-UHFFFAOYSA-N
XLogP1.71
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
CID 122055100
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
1-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 114474633
methyl 1-[(pyridin-2-ylamino)methyl]cyclobutane-1-carboxylate
CID 115247225
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882
5-(1-oxaspiro[4.5]decan-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 122056450
1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309144
1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436121
methyl 1-[(pyridin-4-ylamino)methyl]cyclobutane-1-carboxylate
CID 115247227
5-(2-acetamidoethylamino)pyrazine-2-carboxylic acid
CID 107372326

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid (CID 122054843) is 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid is COC(=O)C1(CNc2cnc(C(=O)O)cn2)CCCCC1.
What is the InChIKey of 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is OHQXCPIXEORRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-13(20)14(5-3-2-4-6-14)9-17-11-8-15-10(7-16-11)12(18)19/h7-8H,2-6,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid?
5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).