ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate

C18H23N5O3 — CID 109277253

IUPACethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc(C(=O)NCCN(C)C)cn2)cc1
InChIInChI=1S/C18H23N5O3/c1-4-26-18(25)13-5-7-14(8-6-13)22-16-12-20-15(11-21-16)17(24)19-9-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyNORLYSNSIRLQBF-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.69
Rot. Bonds8

About ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate

ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate (PubChem CID 109277253) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
PubChem CID109277253
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Nameethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc(C(=O)NCCN(C)C)cn2)cc1
InChIInChI=1S/C18H23N5O3/c1-4-26-18(25)13-5-7-14(8-6-13)22-16-12-20-15(11-21-16)17(24)19-9-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyNORLYSNSIRLQBF-UHFFFAOYSA-N
XLogP1.69
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.69
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-[[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109185434
N-[2-(dimethylamino)ethyl]-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109277174
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
5-anilino-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277171
ethyl 4-[[2-[2-(dimethylamino)ethylcarbamoyl]-4-pyridinyl]amino]benzoate
CID 109207240
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
ethyl 4-[[5-(pyridin-3-ylmethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109283332
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366834
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179210

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate (CID 109277253) is ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2cnc(C(=O)NCCN(C)C)cn2)cc1.
What is the InChIKey of ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate?
The InChIKey is NORLYSNSIRLQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-4-26-18(25)13-5-7-14(8-6-13)22-16-12-20-15(11-21-16)17(24)19-9-10-23(2)3/h5-8,11-12H,4,9-10H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate?
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate has a molecular weight of 357.41 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 109277253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).