methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate

C18H21N3O3 — CID 86812578

IUPACmethyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(13-14-6-8-15(9-7-14)17(22)24-2)18(23)20-12-10-16-5-3-4-11-19-16/h3-9,11H,10,12-13H2,1-2H3,(H,20,23)
InChIKeyBWYJQAPQLZTXOU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.25
Rot. Bonds6

About methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate

methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate (PubChem CID 86812578) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate
PubChem CID86812578
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namemethyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C18H21N3O3/c1-21(13-14-6-8-15(9-7-14)17(22)24-2)18(23)20-12-10-16-5-3-4-11-19-16/h3-9,11H,10,12-13H2,1-2H3,(H,20,23)
InChIKeyBWYJQAPQLZTXOU-UHFFFAOYSA-N
XLogP2.25
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
CID 47128145
methyl 4-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]benzoate;hydroiodide
CID 111192985
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
1-[(4-chlorophenyl)methyl]-1,2-dimethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111293499
1-[(4-bromophenyl)methyl]-1,2-dimethyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111292813
4-(4-ethylphenyl)-N-[2-[hydroxy(2-pyridin-2-ylethylcarbamoyl)amino]ethyl]benzamide
CID 59697131
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
methyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzoate
CID 58128955
N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 1057393
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate (CID 86812578) is methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate is COC(=O)c1ccc(CN(C)C(=O)NCCc2ccccn2)cc1.
What is the InChIKey of methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate?
The InChIKey is BWYJQAPQLZTXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(13-14-6-8-15(9-7-14)17(22)24-2)18(23)20-12-10-16-5-3-4-11-19-16/h3-9,11H,10,12-13H2,1-2H3,(H,20,23).
What are the key properties of methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate?
methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[methyl(2-pyridin-2-ylethylcarbamoyl)amino]methyl]benzoate is sourced from PubChem (CID 86812578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).