ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate

C17H20N4O3 — CID 109271524

IUPACethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc(NC(C)C)cn2)cc1
InChIInChI=1S/C17H20N4O3/c1-4-24-17(23)12-5-7-13(8-6-12)21-16(22)14-9-19-15(10-18-14)20-11(2)3/h5-11H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyBTOBYBVBYMSGMY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.73
Rot. Bonds6

About ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate

ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109271524) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate
PubChem CID109271524
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc(NC(C)C)cn2)cc1
InChIInChI=1S/C17H20N4O3/c1-4-24-17(23)12-5-7-13(8-6-12)21-16(22)14-9-19-15(10-18-14)20-11(2)3/h5-11H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyBTOBYBVBYMSGMY-UHFFFAOYSA-N
XLogP2.73
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109093781
ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109277715
ethyl 4-[[5-(4-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109275343
N-(3,4-dimethoxyphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271491
methyl 4-[[5-(propylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271104
ethyl 4-[[5-(2-methoxyethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109275812
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
ethyl 4-[[6-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109152217
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate (CID 109271524) is ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cnc(NC(C)C)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is BTOBYBVBYMSGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-24-17(23)12-5-7-13(8-6-12)21-16(22)14-9-19-15(10-18-14)20-11(2)3/h5-11H,4H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate?
ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 328.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109271524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).