8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione

C25H24N4O3 — CID 2802711

IUPAC8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(N2CCCCC2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C25H24N4O3/c1-26-21(30)17-20(27-15-9-4-10-16-27)22-23(26)28(18-11-5-2-6-12-18)25(32)29(24(22)31)19-13-7-3-8-14-19/h2-3,5-8,11-14,17H,4,9-10,15-16H2,1H3
InChIKeyIQYYKFJWSZHZNR-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.83
Rot. Bonds3

About 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione

8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 2802711) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID2802711
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCn1c(=O)cc(N2CCCCC2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21
InChIInChI=1S/C25H24N4O3/c1-26-21(30)17-20(27-15-9-4-10-16-27)22-23(26)28(18-11-5-2-6-12-18)25(32)29(24(22)31)19-13-7-3-8-14-19/h2-3,5-8,11-14,17H,4,9-10,15-16H2,1H3
InChIKeyIQYYKFJWSZHZNR-UHFFFAOYSA-N
XLogP2.83
TPSA69.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 2802711) is 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cn1c(=O)cc(N2CCCCC2)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21.
What is the InChIKey of 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is IQYYKFJWSZHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-26-21(30)17-20(27-15-9-4-10-16-27)22-23(26)28(18-11-5-2-6-12-18)25(32)29(24(22)31)19-13-7-3-8-14-19/h2-3,5-8,11-14,17H,4,9-10,15-16H2,1H3.
What are the key properties of 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione?
8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 428.49 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3-diphenyl-5-piperidin-1-ylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 2802711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).