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

C12H13N3O2 — CID 18566217

IUPACN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
SMILESCC(=O)Nc1c(C)nc2c(C)cccn2c1=O
InChIInChI=1S/C12H13N3O2/c1-7-5-4-6-15-11(7)13-8(2)10(12(15)17)14-9(3)16/h4-6H,1-3H3,(H,14,16)
InChIKeyVGLWLZDLPIESEQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.27
Rot. Bonds1

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

N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide (PubChem CID 18566217) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
PubChem CID18566217
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
SMILESCC(=O)Nc1c(C)nc2c(C)cccn2c1=O
InChIInChI=1S/C12H13N3O2/c1-7-5-4-6-15-11(7)13-8(2)10(12(15)17)14-9(3)16/h4-6H,1-3H3,(H,14,16)
InChIKeyVGLWLZDLPIESEQ-UHFFFAOYSA-N
XLogP1.27
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)acetamide?
The IUPAC name of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide (CID 18566217) is N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide is CC(=O)Nc1c(C)nc2c(C)cccn2c1=O.
What is the InChIKey of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is VGLWLZDLPIESEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-5-4-6-15-11(7)13-8(2)10(12(15)17)14-9(3)16/h4-6H,1-3H3,(H,14,16).
What are the key properties of N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide?
N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 18566217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).