1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one

C19H23N3O — CID 53033924

IUPAC1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C19H23N3O/c1-15(2)13-18(23)22-12-11-21(14-16-7-4-3-5-8-16)19-17(22)9-6-10-20-19/h3-10,15H,11-14H2,1-2H3
InChIKeyUWRNYLOCHWMSRL-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one

1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one (PubChem CID 53033924) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one
PubChem CID53033924
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(Cc2ccccc2)c2ncccc21
InChIInChI=1S/C19H23N3O/c1-15(2)13-18(23)22-12-11-21(14-16-7-4-3-5-8-16)19-17(22)9-6-10-20-19/h3-10,15H,11-14H2,1-2H3
InChIKeyUWRNYLOCHWMSRL-UHFFFAOYSA-N
XLogP3.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenoxyethanone
CID 53071971
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]acetate
CID 53071660
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
4-benzyl-N-(4-ethoxyphenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071618
(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
1-[4-[(4-methylphenyl)methyl]-2,3-dihydropyrido[2,3-b]pyrazin-1-yl]-2-phenylbutan-1-one
CID 53071951
4-benzyl-N-(3-bromophenyl)-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxamide
CID 53071619
1-(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-2-phenoxyethanone
CID 53071925
methyl 2-[(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carbonyl)amino]-4-chlorobenzoate
CID 53071632

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one (CID 53033924) is 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(Cc2ccccc2)c2ncccc21.
What is the InChIKey of 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one?
The InChIKey is UWRNYLOCHWMSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15(2)13-18(23)22-12-11-21(14-16-7-4-3-5-8-16)19-17(22)9-6-10-20-19/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one?
1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 53033924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).