methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate

C15H14N2O3 — CID 9414602

IUPACmethyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H14N2O3/c1-20-15(19)12-7-5-11(6-8-12)14(18)17-10-13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyUEWOGJBDJHMQID-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.80
Rot. Bonds4

About methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate

methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate (PubChem CID 9414602) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
PubChem CID9414602
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namemethyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C15H14N2O3/c1-20-15(19)12-7-5-11(6-8-12)14(18)17-10-13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyUEWOGJBDJHMQID-UHFFFAOYSA-N
XLogP1.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(pyridin-2-ylmethylcarbamoyl)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

methyl 4-[[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235016
4-(methylaminomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 90338069
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
4-(2-methylpropyl)-N-(pyridin-2-ylmethyl)benzamide;molecular hydrogen
CID 142259068
N-(pyridin-2-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51101128
methyl 4-[[2-(pyridin-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109258769
methyl 4-[acetyl-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]amino]benzoate
CID 113131495
methyl 4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]benzoate;molecular hydrogen
CID 142290980
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
4-azido-N-(pyridin-2-ylmethyl)benzamide
CID 19609018
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561

Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate?
The IUPAC name of methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate (CID 9414602) is methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate.
What is the SMILES notation for methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate?
The canonical SMILES for methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate is COC(=O)c1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate?
The InChIKey is UEWOGJBDJHMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-20-15(19)12-7-5-11(6-8-12)14(18)17-10-13-4-2-3-9-16-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate?
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate has a molecular weight of 270.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate is sourced from PubChem (CID 9414602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).