5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

C18H16N4O3 — CID 70494648

IUPAC5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)c2nc(N3CCCC3)ncc2c1=O
InChIInChI=1S/C18H16N4O3/c23-15-13-10-19-18(21-8-4-5-9-21)20-16(13)22(11-14(15)17(24)25)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)
InChIKeyMHHLXGUHNQPGEE-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.08
Rot. Bonds3

About 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid

5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 70494648) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID70494648
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)c2nc(N3CCCC3)ncc2c1=O
InChIInChI=1S/C18H16N4O3/c23-15-13-10-19-18(21-8-4-5-9-21)20-16(13)22(11-14(15)17(24)25)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25)
InChIKeyMHHLXGUHNQPGEE-UHFFFAOYSA-N
XLogP2.08
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 70494648) is 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cn(-c2ccccc2)c2nc(N3CCCC3)ncc2c1=O.
What is the InChIKey of 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is MHHLXGUHNQPGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-15-13-10-19-18(21-8-4-5-9-21)20-16(13)22(11-14(15)17(24)25)12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,24,25).
What are the key properties of 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid?
5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-8-phenyl-2-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 70494648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).