3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline

C21H23N5O — CID 142692480

IUPAC3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)CCOc1nc2cccnc2nc1C#Cc1cccc(N(C)C)c1
InChIInChI=1S/C21H23N5O/c1-25(2)13-14-27-21-19(23-20-18(24-21)9-6-12-22-20)11-10-16-7-5-8-17(15-16)26(3)4/h5-9,12,15H,13-14H2,1-4H3
InChIKeyUCYUPYXBAXBDKJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.43
Rot. Bonds5

About 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline

3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline (PubChem CID 142692480) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
PubChem CID142692480
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline
SMILESCN(C)CCOc1nc2cccnc2nc1C#Cc1cccc(N(C)C)c1
InChIInChI=1S/C21H23N5O/c1-25(2)13-14-27-21-19(23-20-18(24-21)9-6-12-22-20)11-10-16-7-5-8-17(15-16)26(3)4/h5-9,12,15H,13-14H2,1-4H3
InChIKeyUCYUPYXBAXBDKJ-UHFFFAOYSA-N
XLogP2.43
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline (CID 142692480) is 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline is CN(C)CCOc1nc2cccnc2nc1C#Cc1cccc(N(C)C)c1.
What is the InChIKey of 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
The InChIKey is UCYUPYXBAXBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25(2)13-14-27-21-19(23-20-18(24-21)9-6-12-22-20)11-10-16-7-5-8-17(15-16)26(3)4/h5-9,12,15H,13-14H2,1-4H3.
What are the key properties of 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline?
3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline has a molecular weight of 361.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(dimethylamino)ethoxy]pyrido[2,3-b]pyrazin-3-yl]ethynyl]-N,N-dimethylaniline is sourced from PubChem (CID 142692480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).