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

C20H20N4O3 — CID 122179720

IUPAC3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cccn3c(=O)cc(N4CCOCC4)nc23)c1
InChIInChI=1S/C20H20N4O3/c1-14-4-2-5-15(12-14)20(26)21-16-6-3-7-24-18(25)13-17(22-19(16)24)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,21,26)
InChIKeyFLPNXXVOABZJDM-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.09
Rot. Bonds3

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

3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide (PubChem CID 122179720) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
PubChem CID122179720
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cccn3c(=O)cc(N4CCOCC4)nc23)c1
InChIInChI=1S/C20H20N4O3/c1-14-4-2-5-15(12-14)20(26)21-16-6-3-7-24-18(25)13-17(22-19(16)24)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,21,26)
InChIKeyFLPNXXVOABZJDM-UHFFFAOYSA-N
XLogP2.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide (CID 122179720) is 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide is Cc1cccc(C(=O)Nc2cccn3c(=O)cc(N4CCOCC4)nc23)c1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide?
The InChIKey is FLPNXXVOABZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-4-2-5-15(12-14)20(26)21-16-6-3-7-24-18(25)13-17(22-19(16)24)23-8-10-27-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,21,26).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide?
3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide is sourced from PubChem (CID 122179720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).