5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid

C20H16N4O4 — CID 155532605

IUPAC5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C20H16N4O4/c25-18-14-11-24(19(26)13-6-7-16(20(27)28)21-10-13)9-8-15(14)22-17(23-18)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,27,28)(H,22,23,25)
InChIKeyOPHZYIKVCWMUAZ-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.73
Rot. Bonds3

About 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid

5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid (PubChem CID 155532605) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid
PubChem CID155532605
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C20H16N4O4/c25-18-14-11-24(19(26)13-6-7-16(20(27)28)21-10-13)9-8-15(14)22-17(23-18)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,27,28)(H,22,23,25)
InChIKeyOPHZYIKVCWMUAZ-UHFFFAOYSA-N
XLogP1.73
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid (CID 155532605) is 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCc3nc(-c4ccccc4)[nH]c(=O)c3C2)cn1.
What is the InChIKey of 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is OPHZYIKVCWMUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c25-18-14-11-24(19(26)13-6-7-16(20(27)28)21-10-13)9-8-15(14)22-17(23-18)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,27,28)(H,22,23,25).
What are the key properties of 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid?
5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 376.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 155532605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).