ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate

C26H24N4O5 — CID 56726823

IUPACethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1
InChIInChI=1S/C26H24N4O5/c1-3-34-25(32)21-9-4-5-10-22(21)29-26(33)28-18-7-6-8-20(13-18)35-16-19-14-24(31)30-15-17(2)11-12-23(30)27-19/h4-15H,3,16H2,1-2H3,(H2,28,29,33)
InChIKeyIOUHPYXNCOFMBF-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.40
Rot. Bonds7

About ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate

ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate (PubChem CID 56726823) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
PubChem CID56726823
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Nameethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1
InChIInChI=1S/C26H24N4O5/c1-3-34-25(32)21-9-4-5-10-22(21)29-26(33)28-18-7-6-8-20(13-18)35-16-19-14-24(31)30-15-17(2)11-12-23(30)27-19/h4-15H,3,16H2,1-2H3,(H2,28,29,33)
InChIKeyIOUHPYXNCOFMBF-UHFFFAOYSA-N
XLogP4.40
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate with MolForge

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Related Compounds

1-(2,3-dimethylphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356598
1-(3,5-dimethylphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356601
methyl 2-[[4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356634
ethyl 4-[[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356548
methyl 2-[[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355905
ethyl 2-[[2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356701
ethyl 2-[[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355958
1-(3,4-dimethoxyphenyl)-3-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356603
1-(3,5-dimethoxyphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356557
4-ethoxy-N-[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356590
ethyl 2-[[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356326
1-(2,3-dimethylphenyl)-3-[2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46356537

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate (CID 56726823) is ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cc(C)ccc3n2)c1.
What is the InChIKey of ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate?
The InChIKey is IOUHPYXNCOFMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-3-34-25(32)21-9-4-5-10-22(21)29-26(33)28-18-7-6-8-20(13-18)35-16-19-14-24(31)30-15-17(2)11-12-23(30)27-19/h4-15H,3,16H2,1-2H3,(H2,28,29,33).
What are the key properties of ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate?
ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate has a molecular weight of 472.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate is sourced from PubChem (CID 56726823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).