1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one

C20H16N4O2 — CID 90645173

IUPAC1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2ccc(-c3ccccc3)cc2)c2cccnc2n1O
InChIInChI=1S/C20H16N4O2/c25-20-23-18(17-7-4-12-21-19(17)24(20)26)22-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-12,26H,13H2,(H,22,23,25)
InChIKeyGOMPLGAZPKQGFF-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.31
Rot. Bonds4

About 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one

1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 90645173) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
PubChem CID90645173
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2ccc(-c3ccccc3)cc2)c2cccnc2n1O
InChIInChI=1S/C20H16N4O2/c25-20-23-18(17-7-4-12-21-19(17)24(20)26)22-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-12,26H,13H2,(H,22,23,25)
InChIKeyGOMPLGAZPKQGFF-UHFFFAOYSA-N
XLogP3.31
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one (CID 90645173) is 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one is O=c1nc(NCc2ccc(-c3ccccc3)cc2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is GOMPLGAZPKQGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20-23-18(17-7-4-12-21-19(17)24(20)26)22-13-14-8-10-16(11-9-14)15-5-2-1-3-6-15/h1-12,26H,13H2,(H,22,23,25).
What are the key properties of 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 344.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[(4-phenylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 90645173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).