methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

C20H18N4O3 — CID 109289688

IUPACmethyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)cc1
InChIInChI=1S/C20H18N4O3/c1-13-5-3-4-6-16(13)24-19(25)17-11-22-18(12-21-17)23-15-9-7-14(8-10-15)20(26)27-2/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyDJTKLLXXDAFOFE-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.57
Rot. Bonds5

About methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109289688) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID109289688
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Namemethyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)cc1
InChIInChI=1S/C20H18N4O3/c1-13-5-3-4-6-16(13)24-19(25)17-11-22-18(12-21-17)23-15-9-7-14(8-10-15)20(26)27-2/h3-12H,1-2H3,(H,22,23)(H,24,25)
InChIKeyDJTKLLXXDAFOFE-UHFFFAOYSA-N
XLogP3.57
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-anilino-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289526
methyl 4-[[5-[(2,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109290743
methyl 4-[[5-[(2-ethoxyphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109293673
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630
methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109291565
5-(3-methylanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289632
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109271303
methyl 4-[[6-[(2,3-dimethylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198302
N-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
5-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289662
N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290118

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (CID 109289688) is methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccccc3C)cn2)cc1.
What is the InChIKey of methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The InChIKey is DJTKLLXXDAFOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13-5-3-4-6-16(13)24-19(25)17-11-22-18(12-21-17)23-15-9-7-14(8-10-15)20(26)27-2/h3-12H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 362.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109289688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).