3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

C22H29N5O4 — CID 45486496

IUPAC3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCOCC)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C22H29N5O4/c1-4-10-31-12-9-27-18-13-17(16-6-7-19(29-3)24-14-16)15-25-20(18)26-21(22(27)28)23-8-11-30-5-2/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,23,25,26)
InChIKeyZJXUPMOMUGREPT-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.74
Rot. Bonds12

About 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 45486496) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
PubChem CID45486496
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCOCC)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C22H29N5O4/c1-4-10-31-12-9-27-18-13-17(16-6-7-19(29-3)24-14-16)15-25-20(18)26-21(22(27)28)23-8-11-30-5-2/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,23,25,26)
InChIKeyZJXUPMOMUGREPT-UHFFFAOYSA-N
XLogP2.74
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 45486496) is 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCCOCC)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is ZJXUPMOMUGREPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-4-10-31-12-9-27-18-13-17(16-6-7-19(29-3)24-14-16)15-25-20(18)26-21(22(27)28)23-8-11-30-5-2/h6-7,13-15H,4-5,8-12H2,1-3H3,(H,23,25,26).
What are the key properties of 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 427.51 g/mol, XLogP of 2.74, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 45486496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).