methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate

C17H21N5O3 — CID 109277408

IUPACmethyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc(NCCN(C)C)cn1
InChIInChI=1S/C17H21N5O3/c1-22(2)9-8-18-15-11-19-14(10-20-15)16(23)21-13-7-5-4-6-12(13)17(24)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,20)(H,21,23)
InChIKeyVYHHGSKROMSKBZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.49
Rot. Bonds7

About methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate

methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate (PubChem CID 109277408) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
PubChem CID109277408
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Namemethyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cnc(NCCN(C)C)cn1
InChIInChI=1S/C17H21N5O3/c1-22(2)9-8-18-15-11-19-14(10-20-15)16(23)21-13-7-5-4-6-12(13)17(24)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,20)(H,21,23)
InChIKeyVYHHGSKROMSKBZ-UHFFFAOYSA-N
XLogP1.49
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[[5-(butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109272677
methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
CID 109186207
methyl 2-[[4-[2-(dimethylamino)ethylamino]pyridine-2-carbonyl]amino]benzoate
CID 109207394
methyl 2-[[5-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonyl]amino]benzoate
CID 109275623
N-(2-chlorophenyl)-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277995
5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109277421
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014
methyl 2-[[5-(4-fluoroanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109292564
methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280991
5-(2-methoxyethylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109275954
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153940

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate (CID 109277408) is methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cnc(NCCN(C)C)cn1.
What is the InChIKey of methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is VYHHGSKROMSKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-22(2)9-8-18-15-11-19-14(10-20-15)16(23)21-13-7-5-4-6-12(13)17(24)25-3/h4-7,10-11H,8-9H2,1-3H3,(H,18,20)(H,21,23).
What are the key properties of methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate?
methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 343.39 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-[2-(dimethylamino)ethylamino]pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109277408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).