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

C24H21N3O4 — CID 46355856

IUPAC2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O4/c1-17-9-11-19(12-10-17)30-16-23(28)26-20-6-2-3-7-21(20)31-15-18-14-24(29)27-13-5-4-8-22(27)25-18/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyPFHHVDBEFMEHDD-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.60
Rot. Bonds7

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

2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide (PubChem CID 46355856) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
PubChem CID46355856
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O4/c1-17-9-11-19(12-10-17)30-16-23(28)26-20-6-2-3-7-21(20)31-15-18-14-24(29)27-13-5-4-8-22(27)25-18/h2-14H,15-16H2,1H3,(H,26,28)
InChIKeyPFHHVDBEFMEHDD-UHFFFAOYSA-N
XLogP3.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802130
2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802117
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 22580423
2-(2-methylphenoxy)-N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802127
1-(2-methoxyphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355960
1-(2-chlorophenyl)-3-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355871
2-(4-chlorophenyl)sulfanyl-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355858
N-[4-methyl-3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(4-methylphenoxy)acetamide
CID 46356216
3,4-dimethoxy-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355860
2-(2-chlorophenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355983
methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
CID 51293876
2-(4-methoxyphenoxy)-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802646

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide (CID 46355856) is 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccccc2OCc2cc(=O)n3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
The InChIKey is PFHHVDBEFMEHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-17-9-11-19(12-10-17)30-16-23(28)26-20-6-2-3-7-21(20)31-15-18-14-24(29)27-13-5-4-8-22(27)25-18/h2-14H,15-16H2,1H3,(H,26,28).
What are the key properties of 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide?
2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 46355856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).