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

C18H18N6O4 — CID 135903235

IUPACmethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(C(=O)OC)c3)nc2n1
InChIInChI=1S/C18H18N6O4/c1-3-19-18(27)24-14-7-5-12-16(22-14)23-15(9-20-12)21-10-4-6-13(25)11(8-10)17(26)28-2/h4-9,25H,3H2,1-2H3,(H3,19,21,22,23,24,27)
InChIKeyMQVYPBMLQKLNSB-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.40
Rot. Bonds5

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

methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate (PubChem CID 135903235) has the molecular formula C18H18N6O4 and a molecular weight of 382.38 g/mol. Its IUPAC name is methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate
PubChem CID135903235
Molecular FormulaC18H18N6O4
Molecular Weight382.38 g/mol
Exact Mass382.14
IUPAC Namemethyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(C(=O)OC)c3)nc2n1
InChIInChI=1S/C18H18N6O4/c1-3-19-18(27)24-14-7-5-12-16(22-14)23-15(9-20-12)21-10-4-6-13(25)11(8-10)17(26)28-2/h4-9,25H,3H2,1-2H3,(H3,19,21,22,23,24,27)
InChIKeyMQVYPBMLQKLNSB-UHFFFAOYSA-N
XLogP2.40
TPSA138.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.40
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 methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate (CID 135903235) is methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate is CCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(C(=O)OC)c3)nc2n1.
What is the InChIKey of methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate?
The InChIKey is MQVYPBMLQKLNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4/c1-3-19-18(27)24-14-7-5-12-16(22-14)23-15(9-20-12)21-10-4-6-13(25)11(8-10)17(26)28-2/h4-9,25H,3H2,1-2H3,(H3,19,21,22,23,24,27).
What are the key properties of methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate?
methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate has a molecular weight of 382.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]amino]-2-hydroxybenzoate is sourced from PubChem (CID 135903235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).