4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde

C13H16N4O2 — CID 22945751

IUPAC4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(N2Cc3ccncc3NC2=O)CC1
InChIInChI=1S/C13H16N4O2/c18-9-16-5-2-11(3-6-16)17-8-10-1-4-14-7-12(10)15-13(17)19/h1,4,7,9,11H,2-3,5-6,8H2,(H,15,19)
InChIKeyYIJWULLHDVKMAG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.05
Rot. Bonds2

About 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde

4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde (PubChem CID 22945751) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde
PubChem CID22945751
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(N2Cc3ccncc3NC2=O)CC1
InChIInChI=1S/C13H16N4O2/c18-9-16-5-2-11(3-6-16)17-8-10-1-4-14-7-12(10)15-13(17)19/h1,4,7,9,11H,2-3,5-6,8H2,(H,15,19)
InChIKeyYIJWULLHDVKMAG-UHFFFAOYSA-N
XLogP1.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde (CID 22945751) is 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde is O=CN1CCC(N2Cc3ccncc3NC2=O)CC1.
What is the InChIKey of 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde?
The InChIKey is YIJWULLHDVKMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-9-16-5-2-11(3-6-16)17-8-10-1-4-14-7-12(10)15-13(17)19/h1,4,7,9,11H,2-3,5-6,8H2,(H,15,19).
What are the key properties of 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde?
4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde has a molecular weight of 260.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 22945751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).