methyl 2-(pyridin-3-ylcarbamoylamino)benzoate

C14H13N3O3 — CID 647380

IUPACmethyl 2-(pyridin-3-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cccnc1
InChIInChI=1S/C14H13N3O3/c1-20-13(18)11-6-2-3-7-12(11)17-14(19)16-10-5-4-8-15-9-10/h2-9H,1H3,(H2,16,17,19)
InChIKeyBEAFQOMWRHXVLL-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.51
Rot. Bonds3

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

methyl 2-(pyridin-3-ylcarbamoylamino)benzoate (PubChem CID 647380) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 2-(pyridin-3-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(pyridin-3-ylcarbamoylamino)benzoate
PubChem CID647380
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-(pyridin-3-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cccnc1
InChIInChI=1S/C14H13N3O3/c1-20-13(18)11-6-2-3-7-12(11)17-14(19)16-10-5-4-8-15-9-10/h2-9H,1H3,(H2,16,17,19)
InChIKeyBEAFQOMWRHXVLL-UHFFFAOYSA-N
XLogP2.51
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.51
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-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-(pyridin-3-ylcarbamoylamino)benzoate (CID 647380) is methyl 2-(pyridin-3-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(pyridin-3-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-(pyridin-3-ylcarbamoylamino)benzoate is COC(=O)c1ccccc1NC(=O)Nc1cccnc1.
What is the InChIKey of methyl 2-(pyridin-3-ylcarbamoylamino)benzoate?
The InChIKey is BEAFQOMWRHXVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-20-13(18)11-6-2-3-7-12(11)17-14(19)16-10-5-4-8-15-9-10/h2-9H,1H3,(H2,16,17,19).
What are the key properties of methyl 2-(pyridin-3-ylcarbamoylamino)benzoate?
methyl 2-(pyridin-3-ylcarbamoylamino)benzoate has a molecular weight of 271.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyridin-3-ylcarbamoylamino)benzoate is sourced from PubChem (CID 647380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).