N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide

C18H17N3O3 — CID 18566206

IUPACN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)COc1ccccc1
InChIInChI=1S/C18H17N3O3/c1-12-7-6-10-21-17(12)19-13(2)16(18(21)23)20-15(22)11-24-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyGMPZYRJYIHTIER-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.33
Rot. Bonds4

About N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide

N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide (PubChem CID 18566206) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
PubChem CID18566206
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
SMILESCc1nc2c(C)cccn2c(=O)c1NC(=O)COc1ccccc1
InChIInChI=1S/C18H17N3O3/c1-12-7-6-10-21-17(12)19-13(2)16(18(21)23)20-15(22)11-24-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyGMPZYRJYIHTIER-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-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide (CID 18566206) is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide is Cc1nc2c(C)cccn2c(=O)c1NC(=O)COc1ccccc1.
What is the InChIKey of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The InChIKey is GMPZYRJYIHTIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-6-10-21-17(12)19-13(2)16(18(21)23)20-15(22)11-24-14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
N-(2,9-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-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 18566206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).