ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate

C19H20N6O4 — CID 135771837

IUPACethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(C(=O)OCC)c3)nc2n1
InChIInChI=1S/C19H20N6O4/c1-3-20-19(28)25-15-8-6-13-17(23-15)24-16(10-21-13)22-11-5-7-14(26)12(9-11)18(27)29-4-2/h5-10,26H,3-4H2,1-2H3,(H3,20,22,23,24,25,28)
InChIKeyXLHQVFXFSMTJDC-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.79
Rot. Bonds6

About ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate

ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate (PubChem CID 135771837) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate
PubChem CID135771837
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Nameethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(C(=O)OCC)c3)nc2n1
InChIInChI=1S/C19H20N6O4/c1-3-20-19(28)25-15-8-6-13-17(23-15)24-16(10-21-13)22-11-5-7-14(26)12(9-11)18(27)29-4-2/h5-10,26H,3-4H2,1-2H3,(H3,20,22,23,24,25,28)
InChIKeyXLHQVFXFSMTJDC-UHFFFAOYSA-N
XLogP2.79
TPSA138.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate?
The IUPAC name of ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate (CID 135771837) is ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate.
What is the SMILES notation for ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate?
The canonical SMILES for ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate is CCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(C(=O)OCC)c3)nc2n1.
What is the InChIKey of ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate?
The InChIKey is XLHQVFXFSMTJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-3-20-19(28)25-15-8-6-13-17(23-15)24-16(10-21-13)22-11-5-7-14(26)12(9-11)18(27)29-4-2/h5-10,26H,3-4H2,1-2H3,(H3,20,22,23,24,25,28).
What are the key properties of ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate?
ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate has a molecular weight of 396.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 135771837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).