N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide

C16H18ClN3O2 — CID 22580007

IUPACN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide
SMILESCc1nc2ccc(Cl)cn2c(=O)c1NC(=O)CC1CCCC1
InChIInChI=1S/C16H18ClN3O2/c1-10-15(19-14(21)8-11-4-2-3-5-11)16(22)20-9-12(17)6-7-13(20)18-10/h6-7,9,11H,2-5,8H2,1H3,(H,19,21)
InChIKeyDYTKEXHBYFPXJY-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.18
Rot. Bonds3

About N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide

N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide (PubChem CID 22580007) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide
PubChem CID22580007
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC NameN-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide
SMILESCc1nc2ccc(Cl)cn2c(=O)c1NC(=O)CC1CCCC1
InChIInChI=1S/C16H18ClN3O2/c1-10-15(19-14(21)8-11-4-2-3-5-11)16(22)20-9-12(17)6-7-13(20)18-10/h6-7,9,11H,2-5,8H2,1H3,(H,19,21)
InChIKeyDYTKEXHBYFPXJY-UHFFFAOYSA-N
XLogP3.18
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide?
The IUPAC name of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide (CID 22580007) is N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide?
The canonical SMILES for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide is Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)CC1CCCC1.
What is the InChIKey of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide?
The InChIKey is DYTKEXHBYFPXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-10-15(19-14(21)8-11-4-2-3-5-11)16(22)20-9-12(17)6-7-13(20)18-10/h6-7,9,11H,2-5,8H2,1H3,(H,19,21).
What are the key properties of N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide?
N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide has a molecular weight of 319.79 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-cyclopentylacetamide is sourced from PubChem (CID 22580007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).