ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate

C27H26N4O5 — CID 46356012

IUPACethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1
InChIInChI=1S/C27H26N4O5/c1-3-35-26(33)14-19-8-11-20(12-9-19)29-27(34)30-21-10-7-18(2)23(15-21)36-17-22-16-25(32)31-13-5-4-6-24(31)28-22/h4-13,15-16H,3,14,17H2,1-2H3,(H2,29,30,34)
InChIKeyRSZLWQAJSRHOOS-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.33
Rot. Bonds8

About ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate

ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate (PubChem CID 46356012) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate
PubChem CID46356012
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Nameethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1
InChIInChI=1S/C27H26N4O5/c1-3-35-26(33)14-19-8-11-20(12-9-19)29-27(34)30-21-10-7-18(2)23(15-21)36-17-22-16-25(32)31-13-5-4-6-24(31)28-22/h4-13,15-16H,3,14,17H2,1-2H3,(H2,29,30,34)
InChIKeyRSZLWQAJSRHOOS-UHFFFAOYSA-N
XLogP4.33
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate with MolForge

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Related Compounds

1-(2,5-dimethylphenyl)-3-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356000
1-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46356024
2,2-dimethyl-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]propanamide
CID 50802163
1-(4-ethylphenyl)-3-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356469
N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 50802157
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenylbutanamide
CID 92876298
1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355951
2-(4-methoxyphenoxy)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 50802117
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxybutanamide
CID 92893123
(2R)-N-[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-2-phenoxypropanamide
CID 92893125
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]-4-propan-2-ylbenzamide
CID 50802150

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate (CID 46356012) is ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1.
What is the InChIKey of ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate?
The InChIKey is RSZLWQAJSRHOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-3-35-26(33)14-19-8-11-20(12-9-19)29-27(34)30-21-10-7-18(2)23(15-21)36-17-22-16-25(32)31-13-5-4-6-24(31)28-22/h4-13,15-16H,3,14,17H2,1-2H3,(H2,29,30,34).
What are the key properties of ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate?
ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate has a molecular weight of 486.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[4-methyl-3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]phenyl]acetate is sourced from PubChem (CID 46356012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).