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

C25H23N3O5 — CID 46356067

IUPAC3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1OC
InChIInChI=1S/C25H23N3O5/c1-16-7-6-12-28-23(29)14-18(26-24(16)28)15-33-20-9-5-4-8-19(20)27-25(30)17-10-11-21(31-2)22(13-17)32-3/h4-14H,15H2,1-3H3,(H,27,30)
InChIKeyDELQZZFZQDPMHI-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.85
Rot. Bonds7

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

3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (PubChem CID 46356067) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
PubChem CID46356067
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1OC
InChIInChI=1S/C25H23N3O5/c1-16-7-6-12-28-23(29)14-18(26-24(16)28)15-33-20-9-5-4-8-19(20)27-25(30)17-10-11-21(31-2)22(13-17)32-3/h4-14H,15H2,1-3H3,(H,27,30)
InChIKeyDELQZZFZQDPMHI-UHFFFAOYSA-N
XLogP3.85
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356035
3,4-dimethoxy-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355860
1-(2,5-dimethoxyphenyl)-3-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356093
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-methoxy-5-methylphenyl)-3-[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356200
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 46805830
methyl 4-[[4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356195
N-[3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 50802160
3,4-dimethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356587
(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 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide (CID 46356067) is 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
The InChIKey is DELQZZFZQDPMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-16-7-6-12-28-23(29)14-18(26-24(16)28)15-33-20-9-5-4-8-19(20)27-25(30)17-10-11-21(31-2)22(13-17)32-3/h4-14H,15H2,1-3H3,(H,27,30).
What are the key properties of 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide?
3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide is sourced from PubChem (CID 46356067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).