3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one

C20H15N5O — CID 15870902

IUPAC3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one
SMILESCc1ccccc1-n1c(/C=C/c2ccccn2)nc2nccnc2c1=O
InChIInChI=1S/C20H15N5O/c1-14-6-2-3-8-16(14)25-17(10-9-15-7-4-5-11-21-15)24-19-18(20(25)26)22-12-13-23-19/h2-13H,1H3/b10-9+
InChIKeyOPWAWNLNVIROIF-MDZDMXLPSA-N
MW341.37 g/mol
LogP3.05
Rot. Bonds3

About 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one

3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one (PubChem CID 15870902) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one
PubChem CID15870902
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one
SMILESCc1ccccc1-n1c(/C=C/c2ccccn2)nc2nccnc2c1=O
InChIInChI=1S/C20H15N5O/c1-14-6-2-3-8-16(14)25-17(10-9-15-7-4-5-11-21-15)24-19-18(20(25)26)22-12-13-23-19/h2-13H,1H3/b10-9+
InChIKeyOPWAWNLNVIROIF-MDZDMXLPSA-N
XLogP3.05
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one?
The IUPAC name of 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one (CID 15870902) is 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one.
What is the SMILES notation for 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one?
The canonical SMILES for 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one is Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2nccnc2c1=O.
What is the InChIKey of 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one?
The InChIKey is OPWAWNLNVIROIF-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H15N5O/c1-14-6-2-3-8-16(14)25-17(10-9-15-7-4-5-11-21-15)24-19-18(20(25)26)22-12-13-23-19/h2-13H,1H3/b10-9+.
What are the key properties of 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one?
3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one has a molecular weight of 341.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]pteridin-4-one is sourced from PubChem (CID 15870902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).