N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide

C20H23N5O3 — CID 53001110

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
SMILESCCn1c(=O)c(=O)n(CC(=O)NCc2ccc(N(C)C)cc2)c2cccnc21
InChIInChI=1S/C20H23N5O3/c1-4-24-18-16(6-5-11-21-18)25(20(28)19(24)27)13-17(26)22-12-14-7-9-15(10-8-14)23(2)3/h5-11H,4,12-13H2,1-3H3,(H,22,26)
InChIKeySMLYUHJUDPZKRZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.96
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide (PubChem CID 53001110) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
PubChem CID53001110
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
SMILESCCn1c(=O)c(=O)n(CC(=O)NCc2ccc(N(C)C)cc2)c2cccnc21
InChIInChI=1S/C20H23N5O3/c1-4-24-18-16(6-5-11-21-18)25(20(28)19(24)27)13-17(26)22-12-14-7-9-15(10-8-14)23(2)3/h5-11H,4,12-13H2,1-3H3,(H,22,26)
InChIKeySMLYUHJUDPZKRZ-UHFFFAOYSA-N
XLogP0.96
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide (CID 53001110) is N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide is CCn1c(=O)c(=O)n(CC(=O)NCc2ccc(N(C)C)cc2)c2cccnc21.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide?
The InChIKey is SMLYUHJUDPZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-4-24-18-16(6-5-11-21-18)25(20(28)19(24)27)13-17(26)22-12-14-7-9-15(10-8-14)23(2)3/h5-11H,4,12-13H2,1-3H3,(H,22,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide is sourced from PubChem (CID 53001110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).