4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid

C19H15FN4O3 — CID 156816967

IUPAC4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(C(=O)O)c(F)c3)n2)cc1
InChIInChI=1S/C19H15FN4O3/c1-10-2-4-11(5-3-10)15-9-22-17(21)16(24-15)18(25)23-12-6-7-13(19(26)27)14(20)8-12/h2-9H,1H3,(H2,21,22)(H,23,25)(H,26,27)
InChIKeyFIJJDZLSRNRKOW-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.12
Rot. Bonds4

About 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid

4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid (PubChem CID 156816967) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid
PubChem CID156816967
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid
SMILESCc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(C(=O)O)c(F)c3)n2)cc1
InChIInChI=1S/C19H15FN4O3/c1-10-2-4-11(5-3-10)15-9-22-17(21)16(24-15)18(25)23-12-6-7-13(19(26)27)14(20)8-12/h2-9H,1H3,(H2,21,22)(H,23,25)(H,26,27)
InChIKeyFIJJDZLSRNRKOW-UHFFFAOYSA-N
XLogP3.12
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid?
The IUPAC name of 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid (CID 156816967) is 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid.
What is the SMILES notation for 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid?
The canonical SMILES for 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid is Cc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(C(=O)O)c(F)c3)n2)cc1.
What is the InChIKey of 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid?
The InChIKey is FIJJDZLSRNRKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-10-2-4-11(5-3-10)15-9-22-17(21)16(24-15)18(25)23-12-6-7-13(19(26)27)14(20)8-12/h2-9H,1H3,(H2,21,22)(H,23,25)(H,26,27).
What are the key properties of 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid?
4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid has a molecular weight of 366.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-6-(4-methylphenyl)pyrazine-2-carbonyl]amino]-2-fluorobenzoic acid is sourced from PubChem (CID 156816967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).