methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate

C19H15FN4O3 — CID 109292564

IUPACmethyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H15FN4O3/c1-27-19(26)14-4-2-3-5-15(14)24-18(25)16-10-22-17(11-21-16)23-13-8-6-12(20)7-9-13/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyDZHNSJRPBUPWGC-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.40
Rot. Bonds5

About methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate

methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109292564) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109292564
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Namemethyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C19H15FN4O3/c1-27-19(26)14-4-2-3-5-15(14)24-18(25)16-10-22-17(11-21-16)23-13-8-6-12(20)7-9-13/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyDZHNSJRPBUPWGC-UHFFFAOYSA-N
XLogP3.40
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220818
methyl 2-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109281638
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291003
methyl 2-[[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109292025
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
methyl 2-[[5-(2-methoxyanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199740
methyl 2-[[2-(4-fluoroanilino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109336865
ethyl 2-[[5-(2-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292458
N-(4-fluorophenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290130

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate (CID 109292564) is methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnc(Nc2ccc(F)cc2)cn1.
What is the InChIKey of methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is DZHNSJRPBUPWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-27-19(26)14-4-2-3-5-15(14)24-18(25)16-10-22-17(11-21-16)23-13-8-6-12(20)7-9-13/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate?
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 366.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109292564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).