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

C24H21N3O3 — CID 46356035

IUPAC4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-9-11-18(12-10-16)24(29)26-20-7-3-4-8-21(20)30-15-19-14-22(28)27-13-5-6-17(2)23(27)25-19/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyDKTGBGIHHIJHOV-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.14
Rot. Bonds5

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

4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (PubChem CID 46356035) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
PubChem CID46356035
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1
InChIInChI=1S/C24H21N3O3/c1-16-9-11-18(12-10-16)24(29)26-20-7-3-4-8-21(20)30-15-19-14-22(28)27-13-5-6-17(2)23(27)25-19/h3-14H,15H2,1-2H3,(H,26,29)
InChIKeyDKTGBGIHHIJHOV-UHFFFAOYSA-N
XLogP4.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356067
2-chloro-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356036
ethyl 4-[[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356100
4-fluoro-N-[3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356121
1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356093
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
N-[3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 50802160
2-(4-methylphenoxy)-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355856
methyl 4-[[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356195
1-(2-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356200
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
CID 104876351

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (CID 46356035) is 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The InChIKey is DKTGBGIHHIJHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-9-11-18(12-10-16)24(29)26-20-7-3-4-8-21(20)30-15-19-14-22(28)27-13-5-6-17(2)23(27)25-19/h3-14H,15H2,1-2H3,(H,26,29).
What are the key properties of 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 46356035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).