2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one

C18H20N4O2 — CID 70112446

IUPAC2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCn1c(=O)ccc2cnc(Nc3cccc(O)c3)nc21
InChIInChI=1S/C18H20N4O2/c1-2-3-4-10-22-16(24)9-8-13-12-19-18(21-17(13)22)20-14-6-5-7-15(23)11-14/h5-9,11-12,23H,2-4,10H2,1H3,(H,19,20,21)
InChIKeyGBGDYICIJTURKE-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.43
Rot. Bonds6

About 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one

2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 70112446) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
PubChem CID70112446
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCCCn1c(=O)ccc2cnc(Nc3cccc(O)c3)nc21
InChIInChI=1S/C18H20N4O2/c1-2-3-4-10-22-16(24)9-8-13-12-19-18(21-17(13)22)20-14-6-5-7-15(23)11-14/h5-9,11-12,23H,2-4,10H2,1H3,(H,19,20,21)
InChIKeyGBGDYICIJTURKE-UHFFFAOYSA-N
XLogP3.43
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one (CID 70112446) is 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one is CCCCCn1c(=O)ccc2cnc(Nc3cccc(O)c3)nc21.
What is the InChIKey of 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GBGDYICIJTURKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-3-4-10-22-16(24)9-8-13-12-19-18(21-17(13)22)20-14-6-5-7-15(23)11-14/h5-9,11-12,23H,2-4,10H2,1H3,(H,19,20,21).
What are the key properties of 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one?
2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 324.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyanilino)-8-pentylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 70112446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).