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

C18H19N5O3 — CID 53257755

IUPAC1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2cccc(N3CCOCC3)c2)c2cccnc2n1O
InChIInChI=1S/C18H19N5O3/c24-18-21-16(15-5-2-6-19-17(15)23(18)25)20-12-13-3-1-4-14(11-13)22-7-9-26-10-8-22/h1-6,11,25H,7-10,12H2,(H,20,21,24)
InChIKeyPXFMYFODOYELKN-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.48
Rot. Bonds4

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

1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 53257755) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
PubChem CID53257755
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2cccc(N3CCOCC3)c2)c2cccnc2n1O
InChIInChI=1S/C18H19N5O3/c24-18-21-16(15-5-2-6-19-17(15)23(18)25)20-12-13-3-1-4-14(11-13)22-7-9-26-10-8-22/h1-6,11,25H,7-10,12H2,(H,20,21,24)
InChIKeyPXFMYFODOYELKN-UHFFFAOYSA-N
XLogP1.48
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one (CID 53257755) is 1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one is O=c1nc(NCc2cccc(N3CCOCC3)c2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is PXFMYFODOYELKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-18-21-16(15-5-2-6-19-17(15)23(18)25)20-12-13-3-1-4-14(11-13)22-7-9-26-10-8-22/h1-6,11,25H,7-10,12H2,(H,20,21,24).
What are the key properties of 1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 353.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[(3-morpholin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 53257755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).