N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide

C18H17N3O3 — CID 16799377

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
SMILESCc1ccn2c(=O)c(NC(=O)COc3ccccc3)c(C)nc2c1
InChIInChI=1S/C18H17N3O3/c1-12-8-9-21-15(10-12)19-13(2)17(18(21)23)20-16(22)11-24-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyYTGXIPDMSHAQIN-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.33
Rot. Bonds4

About N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide (PubChem CID 16799377) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
PubChem CID16799377
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
SMILESCc1ccn2c(=O)c(NC(=O)COc3ccccc3)c(C)nc2c1
InChIInChI=1S/C18H17N3O3/c1-12-8-9-21-15(10-12)19-13(2)17(18(21)23)20-16(22)11-24-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyYTGXIPDMSHAQIN-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide (CID 16799377) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide is Cc1ccn2c(=O)c(NC(=O)COc3ccccc3)c(C)nc2c1.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The InChIKey is YTGXIPDMSHAQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-8-9-21-15(10-12)19-13(2)17(18(21)23)20-16(22)11-24-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide has a molecular weight of 323.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 16799377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).