ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate

C24H24N4O3 — CID 53071615

IUPACethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)c1
InChIInChI=1S/C24H24N4O3/c1-2-31-23(29)19-10-6-11-20(16-19)26-24(30)28-15-14-27(17-18-8-4-3-5-9-18)22-21(28)12-7-13-25-22/h3-13,16H,2,14-15,17H2,1H3,(H,26,30)
InChIKeyHYSZCRZUXFDCFF-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.32
Rot. Bonds5

About ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate

ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate (PubChem CID 53071615) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
PubChem CID53071615
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Nameethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)c1
InChIInChI=1S/C24H24N4O3/c1-2-31-23(29)19-10-6-11-20(16-19)26-24(30)28-15-14-27(17-18-8-4-3-5-9-18)22-21(28)12-7-13-25-22/h3-13,16H,2,14-15,17H2,1H3,(H,26,30)
InChIKeyHYSZCRZUXFDCFF-UHFFFAOYSA-N
XLogP4.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(4-ethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071618
4-benzyl-N-(3,5-dimethylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071605
4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
ethyl 4-[(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071687
4-benzyl-N-(2-methylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071610
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
CID 53071632
ethyl 3-(2,3-dihydro-1,4-benzothiazine-4-carbonylamino)benzoate
CID 20907144
1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one
CID 53033924
N-(5-chloro-2-methylphenyl)-4-ethyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071678
methyl 3-(2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carbonylamino)benzoate
CID 20920703
1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 53071951
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate (CID 53071615) is ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)N2CCN(Cc3ccccc3)c3ncccc32)c1.
What is the InChIKey of ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
The InChIKey is HYSZCRZUXFDCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-2-31-23(29)19-10-6-11-20(16-19)26-24(30)28-15-14-27(17-18-8-4-3-5-9-18)22-21(28)12-7-13-25-22/h3-13,16H,2,14-15,17H2,1H3,(H,26,30).
What are the key properties of ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate?
ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate has a molecular weight of 416.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 53071615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).