5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid

C17H17N3O4 — CID 120685709

IUPAC5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCc2ccccc2OC2CCC2)cn1
InChIInChI=1S/C17H17N3O4/c21-16(13-9-19-14(10-18-13)17(22)23)20-8-11-4-1-2-7-15(11)24-12-5-3-6-12/h1-2,4,7,9-10,12H,3,5-6,8H2,(H,20,21)(H,22,23)
InChIKeyUAHWVANALSINDU-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.04
Rot. Bonds6

About 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid

5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120685709) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120685709
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCc2ccccc2OC2CCC2)cn1
InChIInChI=1S/C17H17N3O4/c21-16(13-9-19-14(10-18-13)17(22)23)20-8-11-4-1-2-7-15(11)24-12-5-3-6-12/h1-2,4,7,9-10,12H,3,5-6,8H2,(H,20,21)(H,22,23)
InChIKeyUAHWVANALSINDU-UHFFFAOYSA-N
XLogP2.04
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-cyclopentyloxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 122053135
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
2-amino-N-[(2-cyclopentyloxyphenyl)methyl]acetamide
CID 119284470
1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
5-[[2-(cyclopropylmethoxy)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119137622
N-[(2-cyclobutyloxyphenyl)methyl]-2-(methylamino)acetamide
CID 119796176
3-amino-N-[(2-cyclopentyloxyphenyl)methyl]propanamide
CID 119284468
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
N-[(2-cyclopentyloxyphenyl)methyl]-2,3-dimethoxybenzamide
CID 55810457
N-[(2-cyclopentyloxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 52710137
N-[(2-cyclobutyloxyphenyl)methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 71930731
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid (CID 120685709) is 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCc2ccccc2OC2CCC2)cn1.
What is the InChIKey of 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is UAHWVANALSINDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-16(13-9-19-14(10-18-13)17(22)23)20-8-11-4-1-2-7-15(11)24-12-5-3-6-12/h1-2,4,7,9-10,12H,3,5-6,8H2,(H,20,21)(H,22,23).
What are the key properties of 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid?
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).