2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide

C21H26N6O4 — CID 11993435

IUPAC2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
SMILESCCCOCCn1c(=O)c(NCC(=O)NC)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C21H26N6O4/c1-4-8-31-9-7-27-16-10-15(14-5-6-18(30-3)23-11-14)12-24-19(16)26-20(21(27)29)25-13-17(28)22-2/h5-6,10-12H,4,7-9,13H2,1-3H3,(H,22,28)(H,24,25,26)
InChIKeyLIBAJIKEQRMGFD-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.45
Rot. Bonds10

About 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide

2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide (PubChem CID 11993435) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
PubChem CID11993435
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC Name2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
SMILESCCCOCCn1c(=O)c(NCC(=O)NC)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C21H26N6O4/c1-4-8-31-9-7-27-16-10-15(14-5-6-18(30-3)23-11-14)12-24-19(16)26-20(21(27)29)25-13-17(28)22-2/h5-6,10-12H,4,7-9,13H2,1-3H3,(H,22,28)(H,24,25,26)
InChIKeyLIBAJIKEQRMGFD-UHFFFAOYSA-N
XLogP1.45
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
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 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide (CID 11993435) is 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide is CCCOCCn1c(=O)c(NCC(=O)NC)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide?
The InChIKey is LIBAJIKEQRMGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-4-8-31-9-7-27-16-10-15(14-5-6-18(30-3)23-11-14)12-24-19(16)26-20(21(27)29)25-13-17(28)22-2/h5-6,10-12H,4,7-9,13H2,1-3H3,(H,22,28)(H,24,25,26).
What are the key properties of 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide?
2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide has a molecular weight of 426.48 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide is sourced from PubChem (CID 11993435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).