methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate

C15H15N3O3 — CID 970862

IUPACmethyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C15H15N3O3/c1-21-14(19)12-6-2-3-7-13(12)18-15(20)17-10-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,20)
InChIKeyUDZKCTOWFIGASI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate

methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate (PubChem CID 970862) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate
PubChem CID970862
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C15H15N3O3/c1-21-14(19)12-6-2-3-7-13(12)18-15(20)17-10-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,20)
InChIKeyUDZKCTOWFIGASI-UHFFFAOYSA-N
XLogP2.19
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate (CID 970862) is methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate is COC(=O)c1ccccc1NC(=O)NCc1cccnc1.
What is the InChIKey of methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate?
The InChIKey is UDZKCTOWFIGASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-21-14(19)12-6-2-3-7-13(12)18-15(20)17-10-11-5-4-8-16-9-11/h2-9H,10H2,1H3,(H2,17,18,20).
What are the key properties of methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate?
methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-3-ylmethylcarbamoylamino)benzoate is sourced from PubChem (CID 970862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).