pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate

C15H14N2O3 — CID 75482196

IUPACpyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate
SMILESCNC(=O)c1cccc(C(=O)OCc2cccnc2)c1
InChIInChI=1S/C15H14N2O3/c1-16-14(18)12-5-2-6-13(8-12)15(19)20-10-11-4-3-7-17-9-11/h2-9H,10H2,1H3,(H,16,18)
InChIKeyXSNIKPZKODWEDQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.80
Rot. Bonds4

About pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate

pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate (PubChem CID 75482196) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate.

Molecular Properties

Compound Namepyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate
PubChem CID75482196
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namepyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate
SMILESCNC(=O)c1cccc(C(=O)OCc2cccnc2)c1
InChIInChI=1S/C15H14N2O3/c1-16-14(18)12-5-2-6-13(8-12)15(19)20-10-11-4-3-7-17-9-11/h2-9H,10H2,1H3,(H,16,18)
InChIKeyXSNIKPZKODWEDQ-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

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Related Compounds

pyridin-3-ylmethyl 3-aminobenzoate
CID 61321631
furan-3-ylmethyl 3-(methylcarbamoyl)benzoate
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(E)-but-2-enedioic acid;pyridin-3-ylmethyl pyridine-3-carboxylate
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[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
N-methylpyridine-3-carboxamide chloride
CID 20976730
(5-tert-butyl-1,3-oxazol-2-yl)methyl 3-(methylcarbamoyl)benzoate
CID 71985728
N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
CID 91828637
pyridin-3-ylmethyl 3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 25354150
3-ethyl-N-methylbenzamide
CID 59115297
pyridin-3-ylmethyl 3-methoxy-4-prop-2-enoxybenzoate
CID 78829849

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate?
The IUPAC name of pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate (CID 75482196) is pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate.
What is the SMILES notation for pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate?
The canonical SMILES for pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate is CNC(=O)c1cccc(C(=O)OCc2cccnc2)c1.
What is the InChIKey of pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate?
The InChIKey is XSNIKPZKODWEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-16-14(18)12-5-2-6-13(8-12)15(19)20-10-11-4-3-7-17-9-11/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate?
pyridin-3-ylmethyl 3-(methylcarbamoyl)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 pyridin-3-ylmethyl 3-(methylcarbamoyl)benzoate is sourced from PubChem (CID 75482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).