5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid

C17H19N3O3 — CID 122053135

IUPAC5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccccc2OC2CCCC2)cn1
InChIInChI=1S/C17H19N3O3/c21-17(22)14-10-20-16(11-18-14)19-9-12-5-1-4-8-15(12)23-13-6-2-3-7-13/h1,4-5,8,10-11,13H,2-3,6-7,9H2,(H,19,20)(H,21,22)
InChIKeyOBZDQHOBCOSZQI-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.11
Rot. Bonds6

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

5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 122053135) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
PubChem CID122053135
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2ccccc2OC2CCCC2)cn1
InChIInChI=1S/C17H19N3O3/c21-17(22)14-10-20-16(11-18-14)19-9-12-5-1-4-8-15(12)23-13-6-2-3-7-13/h1,4-5,8,10-11,13H,2-3,6-7,9H2,(H,19,20)(H,21,22)
InChIKeyOBZDQHOBCOSZQI-UHFFFAOYSA-N
XLogP3.11
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid (CID 122053135) is 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCc2ccccc2OC2CCCC2)cn1.
What is the InChIKey of 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is OBZDQHOBCOSZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(22)14-10-20-16(11-18-14)19-9-12-5-1-4-8-15(12)23-13-6-2-3-7-13/h1,4-5,8,10-11,13H,2-3,6-7,9H2,(H,19,20)(H,21,22).
What are the key properties of 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid?
5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).