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

C18H20N4O3 — CID 53071660

IUPACmethyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)N1CCN(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C18H20N4O3/c1-25-16(23)12-20-18(24)22-11-10-21(13-14-6-3-2-4-7-14)17-15(22)8-5-9-19-17/h2-9H,10-13H2,1H3,(H,20,24)
InChIKeySHHAUKUNIKZSRO-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.79
Rot. Bonds4

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

methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate (PubChem CID 53071660) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate
PubChem CID53071660
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namemethyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)N1CCN(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C18H20N4O3/c1-25-16(23)12-20-18(24)22-11-10-21(13-14-6-3-2-4-7-14)17-15(22)8-5-9-19-17/h2-9H,10-13H2,1H3,(H,20,24)
InChIKeySHHAUKUNIKZSRO-UHFFFAOYSA-N
XLogP1.79
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-N-(4-methoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071613
4-benzyl-N-(2-methylphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071610
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-ethyl-N-(2-phenylethyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071711
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
CID 53071632
1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one
CID 53033924
4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071619
ethyl 3-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]benzoate
CID 53071615
1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone
CID 53071971
(2R)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 95070078
(2S)-1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 95070077

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate (CID 53071660) is methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate is COC(=O)CNC(=O)N1CCN(Cc2ccccc2)c2ncccc21.
What is the InChIKey of methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate?
The InChIKey is SHHAUKUNIKZSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-16(23)12-20-18(24)22-11-10-21(13-14-6-3-2-4-7-14)17-15(22)8-5-9-19-17/h2-9H,10-13H2,1H3,(H,20,24).
What are the key properties of methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate?
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate has a molecular weight of 340.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]acetate is sourced from PubChem (CID 53071660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).