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

C19H21N5O3 — CID 53262591

IUPAC1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2cccc(CN3CCOCC3)c2)c2cccnc2n1O
InChIInChI=1S/C19H21N5O3/c25-19-22-17(16-5-2-6-20-18(16)24(19)26)21-12-14-3-1-4-15(11-14)13-23-7-9-27-10-8-23/h1-6,11,26H,7-10,12-13H2,(H,21,22,25)
InChIKeyAPETULCFKFPUGO-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.47
Rot. Bonds5

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

1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 53262591) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one
PubChem CID53262591
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2cccc(CN3CCOCC3)c2)c2cccnc2n1O
InChIInChI=1S/C19H21N5O3/c25-19-22-17(16-5-2-6-20-18(16)24(19)26)21-12-14-3-1-4-15(11-14)13-23-7-9-27-10-8-23/h1-6,11,26H,7-10,12-13H2,(H,21,22,25)
InChIKeyAPETULCFKFPUGO-UHFFFAOYSA-N
XLogP1.47
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.47
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-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one (CID 53262591) is 1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one is O=c1nc(NCc2cccc(CN3CCOCC3)c2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is APETULCFKFPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-19-22-17(16-5-2-6-20-18(16)24(19)26)21-12-14-3-1-4-15(11-14)13-23-7-9-27-10-8-23/h1-6,11,26H,7-10,12-13H2,(H,21,22,25).
What are the key properties of 1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 367.41 g/mol, XLogP of 1.47, 5 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-ylmethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 53262591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).