ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

C22H22N4O3 — CID 109291635

IUPACethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccc(CC)cc3)cn2)cc1
InChIInChI=1S/C22H22N4O3/c1-3-15-5-9-18(10-6-15)26-21(27)19-13-24-20(14-23-19)25-17-11-7-16(8-12-17)22(28)29-4-2/h5-14H,3-4H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyAHHUVBLWTULFOM-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.21
Rot. Bonds7

About ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate

ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109291635) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID109291635
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Nameethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccc(CC)cc3)cn2)cc1
InChIInChI=1S/C22H22N4O3/c1-3-15-5-9-18(10-6-15)26-21(27)19-13-24-20(14-23-19)25-17-11-7-16(8-12-17)22(28)29-4-2/h5-14H,3-4H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyAHHUVBLWTULFOM-UHFFFAOYSA-N
XLogP4.21
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[5-(propan-2-ylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271524
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983
ethyl 4-[[5-(2-methoxyethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109275812
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109283332
methyl 4-[[5-(4-methoxyanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109293630
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594
methyl 4-[[5-(2-ethylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109291565
5-(4-ethoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289463
N-(4-ethoxyphenyl)-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109293614

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate (CID 109291635) is ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2cnc(C(=O)Nc3ccc(CC)cc3)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
The InChIKey is AHHUVBLWTULFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-15-5-9-18(10-6-15)26-21(27)19-13-24-20(14-23-19)25-17-11-7-16(8-12-17)22(28)29-4-2/h5-14H,3-4H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate?
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109291635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).