2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one

C16H13N3O2 — CID 13276303

IUPAC2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one
SMILESCC(=O)Cc1nc(=O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c1-11(20)10-14-18-16(21)13-8-5-9-17-15(13)19(14)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyOFRPWVKNWLNBLJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one

2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one (PubChem CID 13276303) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one
PubChem CID13276303
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one
SMILESCC(=O)Cc1nc(=O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C16H13N3O2/c1-11(20)10-14-18-16(21)13-8-5-9-17-15(13)19(14)12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyOFRPWVKNWLNBLJ-UHFFFAOYSA-N
XLogP1.91
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one (CID 13276303) is 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one is CC(=O)Cc1nc(=O)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OFRPWVKNWLNBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11(20)10-14-18-16(21)13-8-5-9-17-15(13)19(14)12-6-3-2-4-7-12/h2-9H,10H2,1H3.
What are the key properties of 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one?
2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one has a molecular weight of 279.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-1-phenylpyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 13276303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).