4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide

C16H24N4O4 — CID 50840687

IUPAC4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide
SMILESCOCCCNC(=O)N1c2cccnc2N(CCOC)C(=O)C1C
InChIInChI=1S/C16H24N4O4/c1-12-15(21)19(9-11-24-3)14-13(6-4-7-17-14)20(12)16(22)18-8-5-10-23-2/h4,6-7,12H,5,8-11H2,1-3H3,(H,18,22)
InChIKeyZQAVSWOSNDTIBL-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.02
Rot. Bonds7

About 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide

4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide (PubChem CID 50840687) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide
PubChem CID50840687
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide
SMILESCOCCCNC(=O)N1c2cccnc2N(CCOC)C(=O)C1C
InChIInChI=1S/C16H24N4O4/c1-12-15(21)19(9-11-24-3)14-13(6-4-7-17-14)20(12)16(22)18-8-5-10-23-2/h4,6-7,12H,5,8-11H2,1-3H3,(H,18,22)
InChIKeyZQAVSWOSNDTIBL-UHFFFAOYSA-N
XLogP1.02
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide (CID 50840687) is 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide is COCCCNC(=O)N1c2cccnc2N(CCOC)C(=O)C1C.
What is the InChIKey of 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
The InChIKey is ZQAVSWOSNDTIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-12-15(21)19(9-11-24-3)14-13(6-4-7-17-14)20(12)16(22)18-8-5-10-23-2/h4,6-7,12H,5,8-11H2,1-3H3,(H,18,22).
What are the key properties of 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide?
4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methyl-3-oxo-2H-pyrido[2,3-b]pyrazine-1-carboxamide is sourced from PubChem (CID 50840687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).