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

C17H20N4O3 — CID 109287411

IUPACmethyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)cc1
InChIInChI=1S/C17H20N4O3/c1-17(2,3)21-14-10-18-13(9-19-14)15(22)20-12-7-5-11(6-8-12)16(23)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyZHNCJKARFKJAMD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.73
Rot. Bonds4

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

methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109287411) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109287411
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)cc1
InChIInChI=1S/C17H20N4O3/c1-17(2,3)21-14-10-18-13(9-19-14)15(22)20-12-7-5-11(6-8-12)16(23)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyZHNCJKARFKJAMD-UHFFFAOYSA-N
XLogP2.73
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630
methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
CID 109287415
methyl 4-[[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109283169
methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109291565
5-(tert-butylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109287391
methyl 4-[[5-(propan-2-ylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109271303
methyl 4-[[2-(tert-butylamino)-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109332677
methyl 4-[[5-[(2-methylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109289688
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 4-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199301

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate (CID 109287411) is methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cnc(NC(C)(C)C)cn2)cc1.
What is the InChIKey of methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is ZHNCJKARFKJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-17(2,3)21-14-10-18-13(9-19-14)15(22)20-12-7-5-11(6-8-12)16(23)24-4/h5-10H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate?
methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 328.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109287411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).