ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate

C20H19N5O3 — CID 109283332

IUPACethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc(C(=O)NCc3cccnc3)cn2)cc1
InChIInChI=1S/C20H19N5O3/c1-2-28-20(27)15-5-7-16(8-6-15)25-18-13-22-17(12-23-18)19(26)24-11-14-4-3-9-21-10-14/h3-10,12-13H,2,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyAUPRTJLOWICOJD-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.72
Rot. Bonds7

About ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate

ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate (PubChem CID 109283332) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate
PubChem CID109283332
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Nameethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc(C(=O)NCc3cccnc3)cn2)cc1
InChIInChI=1S/C20H19N5O3/c1-2-28-20(27)15-5-7-16(8-6-15)25-18-13-22-17(12-23-18)19(26)24-11-14-4-3-9-21-10-14/h3-10,12-13H,2,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyAUPRTJLOWICOJD-UHFFFAOYSA-N
XLogP2.72
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[[5-(2-methoxyethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109275812
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253
5-(3-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283309
methyl 4-[[2-methyl-6-(pyridin-3-ylmethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109371174
5-(3-fluoroanilino)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283322
ethyl 4-[[4-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109303879
ethyl 4-[[5-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109255349
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
ethyl 4-[[5-[(4-methylphenyl)methylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109156091
5-[(3-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109280368
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate (CID 109283332) is ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2cnc(C(=O)NCc3cccnc3)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate?
The InChIKey is AUPRTJLOWICOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-2-28-20(27)15-5-7-16(8-6-15)25-18-13-22-17(12-23-18)19(26)24-11-14-4-3-9-21-10-14/h3-10,12-13H,2,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate?
ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate has a molecular weight of 377.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109283332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).