3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide

C23H23N5O3 — CID 138604593

IUPAC3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3nccnc3C(=O)NCCOC)ccc21
InChIInChI=1S/C23H23N5O3/c1-3-28-18-7-5-4-6-16(18)17-14-15(8-9-19(17)28)27-23(30)21-20(24-10-11-25-21)22(29)26-12-13-31-2/h4-11,14H,3,12-13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyNLLWFHDUNPMNGM-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.23
Rot. Bonds7

About 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide

3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide (PubChem CID 138604593) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide
PubChem CID138604593
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)c3nccnc3C(=O)NCCOC)ccc21
InChIInChI=1S/C23H23N5O3/c1-3-28-18-7-5-4-6-16(18)17-14-15(8-9-19(17)28)27-23(30)21-20(24-10-11-25-21)22(29)26-12-13-31-2/h4-11,14H,3,12-13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyNLLWFHDUNPMNGM-UHFFFAOYSA-N
XLogP3.23
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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phenyl N-(9-ethylcarbazol-3-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide (CID 138604593) is 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide is CCn1c2ccccc2c2cc(NC(=O)c3nccnc3C(=O)NCCOC)ccc21.
What is the InChIKey of 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide?
The InChIKey is NLLWFHDUNPMNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-3-28-18-7-5-4-6-16(18)17-14-15(8-9-19(17)28)27-23(30)21-20(24-10-11-25-21)22(29)26-12-13-31-2/h4-11,14H,3,12-13H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide?
3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9-ethylcarbazol-3-yl)-2-N-(2-methoxyethyl)pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 138604593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).