4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one

C20H17N5O — CID 22724109

IUPAC4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCNc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1
InChIInChI=1S/C20H17N5O/c1-21-15-6-2-7-16(12-15)25-19-17(8-4-10-23-19)24-18(20(25)26)11-14-5-3-9-22-13-14/h2-10,12-13,21H,11H2,1H3
InChIKeyYIVIRSVGIUEXQA-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.81
Rot. Bonds4

About 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one

4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 22724109) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID22724109
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
SMILESCNc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1
InChIInChI=1S/C20H17N5O/c1-21-15-6-2-7-16(12-15)25-19-17(8-4-10-23-19)24-18(20(25)26)11-14-5-3-9-22-13-14/h2-10,12-13,21H,11H2,1H3
InChIKeyYIVIRSVGIUEXQA-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one (CID 22724109) is 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one is CNc1cccc(-n2c(=O)c(Cc3cccnc3)nc3cccnc32)c1.
What is the InChIKey of 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is YIVIRSVGIUEXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-21-15-6-2-7-16(12-15)25-19-17(8-4-10-23-19)24-18(20(25)26)11-14-5-3-9-22-13-14/h2-10,12-13,21H,11H2,1H3.
What are the key properties of 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one?
4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 343.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)phenyl]-2-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 22724109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).