5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid

C16H14FN3O4 — CID 120689111

IUPAC5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cn1
InChIInChI=1S/C16H14FN3O4/c17-11-6-9(4-5-14(11)24-10-2-1-3-10)20-15(21)12-7-19-13(8-18-12)16(22)23/h4-8,10H,1-3H2,(H,20,21)(H,22,23)
InChIKeyITIJRSFBHPMBDA-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.50
Rot. Bonds5

About 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid

5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120689111) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120689111
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cn1
InChIInChI=1S/C16H14FN3O4/c17-11-6-9(4-5-14(11)24-10-2-1-3-10)20-15(21)12-7-19-13(8-18-12)16(22)23/h4-8,10H,1-3H2,(H,20,21)(H,22,23)
InChIKeyITIJRSFBHPMBDA-UHFFFAOYSA-N
XLogP2.50
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyclobutyloxy-3-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 122145730
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822444
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
4-[(4-cyclobutyloxy-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086184
5-[(3-methyl-4-propan-2-yloxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685767
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
5-[(2-cyclobutyloxyphenyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685709
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
CID 120501730
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101
N-(4-cyclopentyloxy-3-fluorophenyl)pyrrolidine-2-carboxamide
CID 119336640
N-(4-cyclobutyloxy-3-fluorophenyl)-2-(prop-2-enoylamino)benzamide
CID 166420649
4-[4-[[5-(cyclohexylamino)-1,3,4-oxadiazole-2-carbonyl]amino]-2-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 46701326

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 120689111) is 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)Nc2ccc(OC3CCC3)c(F)c2)cn1.
What is the InChIKey of 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is ITIJRSFBHPMBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c17-11-6-9(4-5-14(11)24-10-2-1-3-10)20-15(21)12-7-19-13(8-18-12)16(22)23/h4-8,10H,1-3H2,(H,20,21)(H,22,23).
What are the key properties of 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 331.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclobutyloxy-3-fluorophenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).