2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide

C22H28N6O4 — CID 11992443

IUPAC2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide
SMILESCCCOCCn1c(=O)c(NCC(=O)N(C)C)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C22H28N6O4/c1-5-9-32-10-8-28-18-11-16(15-6-7-19(31-4)24-12-15)23-13-17(18)26-21(22(28)30)25-14-20(29)27(2)3/h6-7,11-13H,5,8-10,14H2,1-4H3,(H,25,26)
InChIKeyWJYUPFHGGVCXJA-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.79
Rot. Bonds10

About 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide

2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide (PubChem CID 11992443) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide
PubChem CID11992443
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide
SMILESCCCOCCn1c(=O)c(NCC(=O)N(C)C)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C22H28N6O4/c1-5-9-32-10-8-28-18-11-16(15-6-7-19(31-4)24-12-15)23-13-17(18)26-21(22(28)30)25-14-20(29)27(2)3/h6-7,11-13H,5,8-10,14H2,1-4H3,(H,25,26)
InChIKeyWJYUPFHGGVCXJA-UHFFFAOYSA-N
XLogP1.79
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.79
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 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide (CID 11992443) is 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide is CCCOCCn1c(=O)c(NCC(=O)N(C)C)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide?
The InChIKey is WJYUPFHGGVCXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-5-9-32-10-8-28-18-11-16(15-6-7-19(31-4)24-12-15)23-13-17(18)26-21(22(28)30)25-14-20(29)27(2)3/h6-7,11-13H,5,8-10,14H2,1-4H3,(H,25,26).
What are the key properties of 2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide?
2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide has a molecular weight of 440.50 g/mol, XLogP of 1.79, 10 rotatable bonds, 1 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[3,4-b]pyrazin-3-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 11992443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).