[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate

C20H21N5O5 — CID 16727165

IUPAC[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate
SMILESCCNC(=O)Nc1ccc2ncc(-c3cccc(OC(=O)OCCOC)c3)nc2n1
InChIInChI=1S/C20H21N5O5/c1-3-21-19(26)25-17-8-7-15-18(24-17)23-16(12-22-15)13-5-4-6-14(11-13)30-20(27)29-10-9-28-2/h4-8,11-12H,3,9-10H2,1-2H3,(H2,21,23,24,25,26)
InChIKeyDMIJNYFCOCQHRX-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.99
Rot. Bonds7

About [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate

[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate (PubChem CID 16727165) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate.

Molecular Properties

Compound Name[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate
PubChem CID16727165
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Name[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate
SMILESCCNC(=O)Nc1ccc2ncc(-c3cccc(OC(=O)OCCOC)c3)nc2n1
InChIInChI=1S/C20H21N5O5/c1-3-21-19(26)25-17-8-7-15-18(24-17)23-16(12-22-15)13-5-4-6-14(11-13)30-20(27)29-10-9-28-2/h4-8,11-12H,3,9-10H2,1-2H3,(H2,21,23,24,25,26)
InChIKeyDMIJNYFCOCQHRX-UHFFFAOYSA-N
XLogP2.99
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate?
The IUPAC name of [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate (CID 16727165) is [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate.
What is the SMILES notation for [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate?
The canonical SMILES for [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate is CCNC(=O)Nc1ccc2ncc(-c3cccc(OC(=O)OCCOC)c3)nc2n1.
What is the InChIKey of [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate?
The InChIKey is DMIJNYFCOCQHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-3-21-19(26)25-17-8-7-15-18(24-17)23-16(12-22-15)13-5-4-6-14(11-13)30-20(27)29-10-9-28-2/h4-8,11-12H,3,9-10H2,1-2H3,(H2,21,23,24,25,26).
What are the key properties of [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate?
[3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate has a molecular weight of 411.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-methoxyethyl carbonate is sourced from PubChem (CID 16727165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).