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

C19H15N5O2 — CID 67251612

IUPAC1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2ccc(-c3ccncc3)cc2)c2cccnc2n1O
InChIInChI=1S/C19H15N5O2/c25-19-23-17(16-2-1-9-21-18(16)24(19)26)22-12-13-3-5-14(6-4-13)15-7-10-20-11-8-15/h1-11,26H,12H2,(H,22,23,25)
InChIKeyNLHRGNLKJDMJQR-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.70
Rot. Bonds4

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

1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 67251612) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
PubChem CID67251612
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2ccc(-c3ccncc3)cc2)c2cccnc2n1O
InChIInChI=1S/C19H15N5O2/c25-19-23-17(16-2-1-9-21-18(16)24(19)26)22-12-13-3-5-14(6-4-13)15-7-10-20-11-8-15/h1-11,26H,12H2,(H,22,23,25)
InChIKeyNLHRGNLKJDMJQR-UHFFFAOYSA-N
XLogP2.70
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one (CID 67251612) is 1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one is O=c1nc(NCc2ccc(-c3ccncc3)cc2)c2cccnc2n1O.
What is the InChIKey of 1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is NLHRGNLKJDMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-19-23-17(16-2-1-9-21-18(16)24(19)26)22-12-13-3-5-14(6-4-13)15-7-10-20-11-8-15/h1-11,26H,12H2,(H,22,23,25).
What are the key properties of 1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one?
1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 345.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-[(4-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 67251612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).