4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

C19H19N3O2 — CID 6457996

IUPAC4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)14-9-7-13(8-10-14)17(23)21-15-12-20-16-6-4-5-11-22(16)18(15)24/h4-12H,1-3H3,(H,21,23)
InChIKeyWAPCILSYIRCEEJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.24
Rot. Bonds2

About 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 6457996) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID6457996
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C19H19N3O2/c1-19(2,3)14-9-7-13(8-10-14)17(23)21-15-12-20-16-6-4-5-11-22(16)18(15)24/h4-12H,1-3H3,(H,21,23)
InChIKeyWAPCILSYIRCEEJ-UHFFFAOYSA-N
XLogP3.24
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 6457996) is 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cnc3ccccn3c2=O)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is WAPCILSYIRCEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2,3)14-9-7-13(8-10-14)17(23)21-15-12-20-16-6-4-5-11-22(16)18(15)24/h4-12H,1-3H3,(H,21,23).
What are the key properties of 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 6457996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).