2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

C14H8N4O3 — CID 134152033

IUPAC2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O
InChIInChI=1S/C14H8N4O3/c15-6-8-9(7-4-2-1-3-5-7)10-11(16-12(8)19)17-14(21)18-13(10)20/h1-5H,(H3,16,17,18,19,20,21)
InChIKeyHTCLIEYUZUVIPO-UHFFFAOYSA-N
MW280.24 g/mol
LogP0.44
Rot. Bonds1

About 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 134152033) has the molecular formula C14H8N4O3 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID134152033
Molecular FormulaC14H8N4O3
Molecular Weight280.24 g/mol
Exact Mass280.06
IUPAC Name2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O
InChIInChI=1S/C14H8N4O3/c15-6-8-9(7-4-2-1-3-5-7)10-11(16-12(8)19)17-14(21)18-13(10)20/h1-5H,(H3,16,17,18,19,20,21)
InChIKeyHTCLIEYUZUVIPO-UHFFFAOYSA-N
XLogP0.44
TPSA122.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 134152033) is 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1c(-c2ccccc2)c2c(=O)[nH]c(=O)[nH]c2[nH]c1=O.
What is the InChIKey of 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is HTCLIEYUZUVIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O3/c15-6-8-9(7-4-2-1-3-5-7)10-11(16-12(8)19)17-14(21)18-13(10)20/h1-5H,(H3,16,17,18,19,20,21).
What are the key properties of 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 280.24 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trioxo-5-phenyl-1,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 134152033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).