4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one

C13H9N3O — CID 14399649

IUPAC4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(-c2ccccc2)[nH]1
InChIInChI=1S/C13H9N3O/c17-13-15-11(9-5-2-1-3-6-9)10-7-4-8-14-12(10)16-13/h1-8H,(H,14,15,16,17)
InChIKeyFUXWONLMRFEDSS-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.99
Rot. Bonds1

About 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one

4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 14399649) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID14399649
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2ncccc2c(-c2ccccc2)[nH]1
InChIInChI=1S/C13H9N3O/c17-13-15-11(9-5-2-1-3-6-9)10-7-4-8-14-12(10)16-13/h1-8H,(H,14,15,16,17)
InChIKeyFUXWONLMRFEDSS-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one (CID 14399649) is 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one is O=c1nc2ncccc2c(-c2ccccc2)[nH]1.
What is the InChIKey of 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is FUXWONLMRFEDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13-15-11(9-5-2-1-3-6-9)10-7-4-8-14-12(10)16-13/h1-8H,(H,14,15,16,17).
What are the key properties of 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one?
4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 223.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 14399649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).