1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

C15H16N4O3 — CID 904240

IUPAC1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
InChIInChI=1S/C15H16N4O3/c16-13(21)10-4-7-18(8-5-10)14-11(9-20)15(22)19-6-2-1-3-12(19)17-14/h1-3,6,9-10H,4-5,7-8H2,(H2,16,21)
InChIKeyIMRLJPWEXHEVDF-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.21
Rot. Bonds3

About 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide

1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 904240) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID904240
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
InChIInChI=1S/C15H16N4O3/c16-13(21)10-4-7-18(8-5-10)14-11(9-20)15(22)19-6-2-1-3-12(19)17-14/h1-3,6,9-10H,4-5,7-8H2,(H2,16,21)
InChIKeyIMRLJPWEXHEVDF-UHFFFAOYSA-N
XLogP0.21
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CID 904240) is 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc3ccccn3c(=O)c2C=O)CC1.
What is the InChIKey of 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is IMRLJPWEXHEVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-13(21)10-4-7-18(8-5-10)14-11(9-20)15(22)19-6-2-1-3-12(19)17-14/h1-3,6,9-10H,4-5,7-8H2,(H2,16,21).
What are the key properties of 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-formyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 904240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).