methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate

C19H23N3O4 — CID 118781930

IUPACmethyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate
SMILESCOCCN(Cc1cccnc1)C(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C19H23N3O4/c1-14-6-7-16(18(23)26-3)11-17(14)21-19(24)22(9-10-25-2)13-15-5-4-8-20-12-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,24)
InChIKeyKAGUXHDWLHMHCA-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.86
Rot. Bonds7

About methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate

methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate (PubChem CID 118781930) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate
PubChem CID118781930
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Namemethyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate
SMILESCOCCN(Cc1cccnc1)C(=O)Nc1cc(C(=O)OC)ccc1C
InChIInChI=1S/C19H23N3O4/c1-14-6-7-16(18(23)26-3)11-17(14)21-19(24)22(9-10-25-2)13-15-5-4-8-20-12-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,24)
InChIKeyKAGUXHDWLHMHCA-UHFFFAOYSA-N
XLogP2.86
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

3-(5-ethyl-2,4-dimethylpyrazol-3-yl)-1-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 72855127
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)carbamoyl]amino]-N-ethyl-3-methylbenzamide
CID 87010560
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 78792765
1-[2-(dimethylamino)ethyl]-3-(2-methyl-4-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87035630
methyl 4-methyl-3-[(2-pyrimidin-5-ylacetyl)amino]benzoate
CID 100676741
dimethyl 2-[(2-pyridin-3-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 110697209
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 87008900
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 11623587
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate (CID 118781930) is methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate is COCCN(Cc1cccnc1)C(=O)Nc1cc(C(=O)OC)ccc1C.
What is the InChIKey of methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate?
The InChIKey is KAGUXHDWLHMHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-14-6-7-16(18(23)26-3)11-17(14)21-19(24)22(9-10-25-2)13-15-5-4-8-20-12-15/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,24).
What are the key properties of methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate?
methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-methoxyethyl(pyridin-3-ylmethyl)carbamoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 118781930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).