2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide

C26H20N4O5 — CID 46356625

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCc1ccc2nc(COc3ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)cc3)cc(=O)n2c1
InChIInChI=1S/C26H20N4O5/c1-16-6-11-22-27-18(12-24(32)29(22)13-16)15-35-19-9-7-17(8-10-19)28-23(31)14-30-25(33)20-4-2-3-5-21(20)26(30)34/h2-13H,14-15H2,1H3,(H,28,31)
InChIKeyNETQPECJRSETDD-UHFFFAOYSA-N
MW468.47 g/mol
LogP2.82
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide (PubChem CID 46356625) has the molecular formula C26H20N4O5 and a molecular weight of 468.47 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
PubChem CID46356625
Molecular FormulaC26H20N4O5
Molecular Weight468.47 g/mol
Exact Mass468.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCc1ccc2nc(COc3ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)cc3)cc(=O)n2c1
InChIInChI=1S/C26H20N4O5/c1-16-6-11-22-27-18(12-24(32)29(22)13-16)15-35-19-9-7-17(8-10-19)28-23(31)14-30-25(33)20-4-2-3-5-21(20)26(30)34/h2-13H,14-15H2,1H3,(H,28,31)
InChIKeyNETQPECJRSETDD-UHFFFAOYSA-N
XLogP2.82
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356634
1-(2-chloro-4-methylphenyl)-3-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356637
1-(2,5-dimethoxyphenyl)-3-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356639
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea
CID 46356408
4-ethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356590
1-(3,5-dimethylphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356601
2-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122297706
2-(4-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802130
N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 46356819
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate
CID 55495844
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-(phenylcarbamoylamino)benzoate
CID 55505157

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide (CID 46356625) is 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide is Cc1ccc2nc(COc3ccc(NC(=O)CN4C(=O)c5ccccc5C4=O)cc3)cc(=O)n2c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The InChIKey is NETQPECJRSETDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O5/c1-16-6-11-22-27-18(12-24(32)29(22)13-16)15-35-19-9-7-17(8-10-19)28-23(31)14-30-25(33)20-4-2-3-5-21(20)26(30)34/h2-13H,14-15H2,1H3,(H,28,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide has a molecular weight of 468.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 46356625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).