(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate

C18H22N2O3 — CID 55356214

IUPAC(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate
SMILESCc1cccn2c(=O)cc(COC(=O)CCC3CCCC3)nc12
InChIInChI=1S/C18H22N2O3/c1-13-5-4-10-20-16(21)11-15(19-18(13)20)12-23-17(22)9-8-14-6-2-3-7-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3
InChIKeyMICOWVOWLQJBDV-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.02
Rot. Bonds5

About (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate

(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate (PubChem CID 55356214) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate
PubChem CID55356214
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate
SMILESCc1cccn2c(=O)cc(COC(=O)CCC3CCCC3)nc12
InChIInChI=1S/C18H22N2O3/c1-13-5-4-10-20-16(21)11-15(19-18(13)20)12-23-17(22)9-8-14-6-2-3-7-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3
InChIKeyMICOWVOWLQJBDV-UHFFFAOYSA-N
XLogP3.02
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate?
The IUPAC name of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate (CID 55356214) is (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate.
What is the SMILES notation for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate?
The canonical SMILES for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate is Cc1cccn2c(=O)cc(COC(=O)CCC3CCCC3)nc12.
What is the InChIKey of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate?
The InChIKey is MICOWVOWLQJBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-5-4-10-20-16(21)11-15(19-18(13)20)12-23-17(22)9-8-14-6-2-3-7-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3.
What are the key properties of (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate?
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate has a molecular weight of 314.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-cyclopentylpropanoate is sourced from PubChem (CID 55356214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).