methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

C21H20N4O3 — CID 109291003

IUPACmethyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cnc(C(=O)Nc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C21H20N4O3/c1-13-8-9-15(10-14(13)2)24-20(26)18-11-23-19(12-22-18)25-17-7-5-4-6-16(17)21(27)28-3/h4-12H,1-3H3,(H,23,25)(H,24,26)
InChIKeyCABSLTKJELBGSU-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.88
Rot. Bonds5

About methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109291003) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID109291003
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namemethyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccccc1Nc1cnc(C(=O)Nc2ccc(C)c(C)c2)cn1
InChIInChI=1S/C21H20N4O3/c1-13-8-9-15(10-14(13)2)24-20(26)18-11-23-19(12-22-18)25-17-7-5-4-6-16(17)21(27)28-3/h4-12H,1-3H3,(H,23,25)(H,24,26)
InChIKeyCABSLTKJELBGSU-UHFFFAOYSA-N
XLogP3.88
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109292025
5-anilino-N-(3,4-dimethylphenyl)pyrazine-2-carboxamide
CID 109289534
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
N-(3,4-dimethylphenyl)-5-(3-methoxyanilino)pyrazine-2-carboxamide
CID 109290986
5-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293037
methyl 2-[[5-(3-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293535
N-(4-methoxyphenyl)-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109289766
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
N-(3,4-dimethoxyphenyl)-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290799
methyl 2-[[3-(3,4-dimethylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112963430
methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109291565
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (CID 109291003) is methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is COC(=O)c1ccccc1Nc1cnc(C(=O)Nc2ccc(C)c(C)c2)cn1.
What is the InChIKey of methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The InChIKey is CABSLTKJELBGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-8-9-15(10-14(13)2)24-20(26)18-11-23-19(12-22-18)25-17-7-5-4-6-16(17)21(27)28-3/h4-12H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 376.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[(3,4-dimethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109291003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).