ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate

C23H22N4O5 — CID 142886643

IUPACethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NCc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1
InChIInChI=1S/C23H22N4O5/c1-2-31-22(29)16-4-3-5-17(12-16)27-23(30)26-14-15-6-8-18(9-7-15)32-19-10-11-25-20(13-19)21(24)28/h3-13H,2,14H2,1H3,(H2,24,28)(H2,26,27,30)
InChIKeyRTBJPKAEGILPAG-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.47
Rot. Bonds8

About ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate

ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate (PubChem CID 142886643) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate
PubChem CID142886643
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Nameethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)NCc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1
InChIInChI=1S/C23H22N4O5/c1-2-31-22(29)16-4-3-5-17(12-16)27-23(30)26-14-15-6-8-18(9-7-15)32-19-10-11-25-20(13-19)21(24)28/h3-13H,2,14H2,1H3,(H2,24,28)(H2,26,27,30)
InChIKeyRTBJPKAEGILPAG-UHFFFAOYSA-N
XLogP3.47
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate with MolForge

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Related Compounds

ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
ethyl 3-[[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamothioylamino]benzoate
CID 46843010
4-[4-[[[3-(dimethylamino)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044455
ethyl 4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate
CID 160809012
N-methyl-4-[4-[[[3-(trifluoromethylsulfanyloxy)phenyl]carbamoylamino]methyl]phenoxy]pyridine-2-carboxamide
CID 142886664
ethyl 5-bromo-4-methyl-2-[[4-[(2-propanoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]thiophene-3-carboxylate
CID 161311385
ethyl 3-(2-methylpropylcarbamoylamino)benzoate
CID 47221039
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370
ethyl 4-[(pyridin-4-ylcarbamoylamino)methyl]benzoate
CID 108892768
ethyl 3-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoate
CID 23739414
ethyl 3-(propylcarbamoylamino)benzoate
CID 19169955
1-(3-chlorophenyl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 10020988

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate?
The IUPAC name of ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate (CID 142886643) is ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate is CCOC(=O)c1cccc(NC(=O)NCc2ccc(Oc3ccnc(C(N)=O)c3)cc2)c1.
What is the InChIKey of ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate?
The InChIKey is RTBJPKAEGILPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-2-31-22(29)16-4-3-5-17(12-16)27-23(30)26-14-15-6-8-18(9-7-15)32-19-10-11-25-20(13-19)21(24)28/h3-13H,2,14H2,1H3,(H2,24,28)(H2,26,27,30).
What are the key properties of ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate?
ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate has a molecular weight of 434.45 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-[(2-carbamoyl-4-pyridinyl)oxy]phenyl]methylcarbamoylamino]benzoate is sourced from PubChem (CID 142886643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).