3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione

C16H11N5O2 — CID 15192393

IUPAC3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione
SMILESCn1c(=O)nc2n(-c3cccnc3)c3ccccc3nc-2c1=O
InChIInChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-5-4-8-17-9-10)12-7-3-2-6-11(12)18-13/h2-9H,1H3
InChIKeyXPLJVTKXYPAXEB-UHFFFAOYSA-N
MW305.30 g/mol
LogP0.98
Rot. Bonds1

About 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione

3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione (PubChem CID 15192393) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione
PubChem CID15192393
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC Name3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione
SMILESCn1c(=O)nc2n(-c3cccnc3)c3ccccc3nc-2c1=O
InChIInChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-5-4-8-17-9-10)12-7-3-2-6-11(12)18-13/h2-9H,1H3
InChIKeyXPLJVTKXYPAXEB-UHFFFAOYSA-N
XLogP0.98
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-(4-chloro-2-fluorophenyl)-3-methylbenzo[g]pteridine-2,4-dione
CID 14860363
1-phenyl-2-pyridin-3-ylbenzimidazole
CID 24821366
3-(3-bromopropyl)-10-phenylbenzo[g]pteridine-2,4-dione
CID 10501753
10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
CID 14430190
2-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155179347
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1-pyridin-3-ylbenzimidazole
CID 155173902
3-(6-iodohexyl)-10-phenylbenzo[g]pteridine-2,4-dione
CID 14873496
2-[3-[4-phenyl-6-[3-(1-pyridin-3-ylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-pyridin-3-ylbenzimidazole
CID 155185764
2-pyridin-2-yl-1-[4-(4-pyridin-2-yl-1-pyridin-3-ylimidazol-2-yl)phenyl]benzimidazole
CID 25031832
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
3-(4-bromophenyl)-1-methylquinoxalin-2-one
CID 132610080
CID 89196743
CID 89196743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione (CID 15192393) is 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione is Cn1c(=O)nc2n(-c3cccnc3)c3ccccc3nc-2c1=O.
What is the InChIKey of 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione?
The InChIKey is XPLJVTKXYPAXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c1-20-15(22)13-14(19-16(20)23)21(10-5-4-8-17-9-10)12-7-3-2-6-11(12)18-13/h2-9H,1H3.
What are the key properties of 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione?
3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione has a molecular weight of 305.30 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-10-pyridin-3-ylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 15192393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).