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

C25H23N3O5 — CID 50802117

IUPAC2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1
InChIInChI=1S/C25H23N3O5/c1-17-6-7-18(27-24(29)16-32-21-10-8-20(31-2)9-11-21)13-22(17)33-15-19-14-25(30)28-12-4-3-5-23(28)26-19/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyQUBLEOPZIBWLNN-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.61
Rot. Bonds8

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

2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide (PubChem CID 50802117) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
PubChem CID50802117
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1
InChIInChI=1S/C25H23N3O5/c1-17-6-7-18(27-24(29)16-32-21-10-8-20(31-2)9-11-21)13-22(17)33-15-19-14-25(30)28-12-4-3-5-23(28)26-19/h3-14H,15-16H2,1-2H3,(H,27,29)
InChIKeyQUBLEOPZIBWLNN-UHFFFAOYSA-N
XLogP3.61
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355983
N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 50802157
2-(4-chlorophenoxy)-N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46356456
2,2-dimethyl-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]propanamide
CID 50802163
N-[4-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide
CID 46356216
2-(4-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802130
2-(2-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802127
2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355856
N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(3-methylphenoxy)acetamide
CID 46356450
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92893125
1-(2,5-dimethylphenyl)-3-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356000
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide
CID 92893123

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide (CID 50802117) is 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide is COc1ccc(OCC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The InChIKey is QUBLEOPZIBWLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-17-6-7-18(27-24(29)16-32-21-10-8-20(31-2)9-11-21)13-22(17)33-15-19-14-25(30)28-12-4-3-5-23(28)26-19/h3-14H,15-16H2,1-2H3,(H,27,29).
What are the key properties of 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 50802117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).