5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid

C18H13FN4O3 — CID 167971088

IUPAC5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC(c2cccc(F)c2)c2ccccn2)cn1
InChIInChI=1S/C18H13FN4O3/c19-12-5-3-4-11(8-12)16(13-6-1-2-7-20-13)23-17(24)14-9-22-15(10-21-14)18(25)26/h1-10,16H,(H,23,24)(H,25,26)
InChIKeyJKUCOFZULQQTEZ-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.23
Rot. Bonds5

About 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid

5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 167971088) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID167971088
Molecular FormulaC18H13FN4O3
Molecular Weight352.33 g/mol
Exact Mass352.10
IUPAC Name5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NC(c2cccc(F)c2)c2ccccn2)cn1
InChIInChI=1S/C18H13FN4O3/c19-12-5-3-4-11(8-12)16(13-6-1-2-7-20-13)23-17(24)14-9-22-15(10-21-14)18(25)26/h1-10,16H,(H,23,24)(H,25,26)
InChIKeyJKUCOFZULQQTEZ-UHFFFAOYSA-N
XLogP2.23
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid (CID 167971088) is 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NC(c2cccc(F)c2)c2ccccn2)cn1.
What is the InChIKey of 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is JKUCOFZULQQTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3/c19-12-5-3-4-11(8-12)16(13-6-1-2-7-20-13)23-17(24)14-9-22-15(10-21-14)18(25)26/h1-10,16H,(H,23,24)(H,25,26).
What are the key properties of 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 352.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 167971088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).