3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

C15H15N3O2 — CID 79294046

IUPAC3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCc1ccnc2c1NC(=O)C(Cc1ccc(O)cc1)N2
InChIInChI=1S/C15H15N3O2/c1-9-6-7-16-14-13(9)18-15(20)12(17-14)8-10-2-4-11(19)5-3-10/h2-7,12,19H,8H2,1H3,(H,16,17)(H,18,20)
InChIKeyFXKZSRKUFIRKPJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.07
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 79294046) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID79294046
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCc1ccnc2c1NC(=O)C(Cc1ccc(O)cc1)N2
InChIInChI=1S/C15H15N3O2/c1-9-6-7-16-14-13(9)18-15(20)12(17-14)8-10-2-4-11(19)5-3-10/h2-7,12,19H,8H2,1H3,(H,16,17)(H,18,20)
InChIKeyFXKZSRKUFIRKPJ-UHFFFAOYSA-N
XLogP2.07
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (CID 79294046) is 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is Cc1ccnc2c1NC(=O)C(Cc1ccc(O)cc1)N2.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is FXKZSRKUFIRKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-6-7-16-14-13(9)18-15(20)12(17-14)8-10-2-4-11(19)5-3-10/h2-7,12,19H,8H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 79294046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).