2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide

C21H30N4O2 — CID 142232622

IUPAC2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide
SMILESC=CC(=C)CNC(=O)Cn1c(C(=C)CC)cc2c(c1=O)NC(C(C)C)CN2
InChIInChI=1S/C21H30N4O2/c1-7-14(5)10-23-19(26)12-25-18(15(6)8-2)9-16-20(21(25)27)24-17(11-22-16)13(3)4/h7,9,13,17,22,24H,1,5-6,8,10-12H2,2-4H3,(H,23,26)
InChIKeyGEJDFFFUYYTDLR-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.99
Rot. Bonds8

About 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide

2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide (PubChem CID 142232622) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide.

Molecular Properties

Compound Name2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide
PubChem CID142232622
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide
SMILESC=CC(=C)CNC(=O)Cn1c(C(=C)CC)cc2c(c1=O)NC(C(C)C)CN2
InChIInChI=1S/C21H30N4O2/c1-7-14(5)10-23-19(26)12-25-18(15(6)8-2)9-16-20(21(25)27)24-17(11-22-16)13(3)4/h7,9,13,17,22,24H,1,5-6,8,10-12H2,2-4H3,(H,23,26)
InChIKeyGEJDFFFUYYTDLR-UHFFFAOYSA-N
XLogP2.99
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide?
The IUPAC name of 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide (CID 142232622) is 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide.
What is the SMILES notation for 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide?
The canonical SMILES for 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide is C=CC(=C)CNC(=O)Cn1c(C(=C)CC)cc2c(c1=O)NC(C(C)C)CN2.
What is the InChIKey of 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide?
The InChIKey is GEJDFFFUYYTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-7-14(5)10-23-19(26)12-25-18(15(6)8-2)9-16-20(21(25)27)24-17(11-22-16)13(3)4/h7,9,13,17,22,24H,1,5-6,8,10-12H2,2-4H3,(H,23,26).
What are the key properties of 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide?
2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide has a molecular weight of 370.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-but-1-en-2-yl-5-oxo-3-propan-2-yl-1,2,3,4-tetrahydropyrido[3,4-b]pyrazin-6-yl)-N-(2-methylidenebut-3-enyl)acetamide is sourced from PubChem (CID 142232622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).