3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid

C19H21N3O4 — CID 74236207

IUPAC3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid
SMILESCc1cnc(CNC(=O)c2cc(OCC3CCC3)cc(C(=O)O)c2)cn1
InChIInChI=1S/C19H21N3O4/c1-12-8-21-16(9-20-12)10-22-18(23)14-5-15(19(24)25)7-17(6-14)26-11-13-3-2-4-13/h5-9,13H,2-4,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyKKWZTXVRYSRFAL-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.59
Rot. Bonds7

About 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid

3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid (PubChem CID 74236207) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid
PubChem CID74236207
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid
SMILESCc1cnc(CNC(=O)c2cc(OCC3CCC3)cc(C(=O)O)c2)cn1
InChIInChI=1S/C19H21N3O4/c1-12-8-21-16(9-20-12)10-22-18(23)14-5-15(19(24)25)7-17(6-14)26-11-13-3-2-4-13/h5-9,13H,2-4,10-11H2,1H3,(H,22,23)(H,24,25)
InChIKeyKKWZTXVRYSRFAL-UHFFFAOYSA-N
XLogP2.59
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid?
The IUPAC name of 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid (CID 74236207) is 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid is Cc1cnc(CNC(=O)c2cc(OCC3CCC3)cc(C(=O)O)c2)cn1.
What is the InChIKey of 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid?
The InChIKey is KKWZTXVRYSRFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-8-21-16(9-20-12)10-22-18(23)14-5-15(19(24)25)7-17(6-14)26-11-13-3-2-4-13/h5-9,13H,2-4,10-11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid?
3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid has a molecular weight of 355.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethoxy)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 74236207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).