methyl 4-(pyridine-3-carbonylamino)benzoate

C14H12N2O3 — CID 766048

IUPACmethyl 4-(pyridine-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H12N2O3/c1-19-14(18)10-4-6-12(7-5-10)16-13(17)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,17)
InChIKeyPLMWXOSEFMNIIX-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.12
Rot. Bonds3

About methyl 4-(pyridine-3-carbonylamino)benzoate

methyl 4-(pyridine-3-carbonylamino)benzoate (PubChem CID 766048) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 4-(pyridine-3-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(pyridine-3-carbonylamino)benzoate
PubChem CID766048
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Namemethyl 4-(pyridine-3-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H12N2O3/c1-19-14(18)10-4-6-12(7-5-10)16-13(17)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,17)
InChIKeyPLMWXOSEFMNIIX-UHFFFAOYSA-N
XLogP2.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(pyridine-3-carbonylamino)benzoate?
The IUPAC name of methyl 4-(pyridine-3-carbonylamino)benzoate (CID 766048) is methyl 4-(pyridine-3-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(pyridine-3-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(pyridine-3-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of methyl 4-(pyridine-3-carbonylamino)benzoate?
The InChIKey is PLMWXOSEFMNIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-19-14(18)10-4-6-12(7-5-10)16-13(17)11-3-2-8-15-9-11/h2-9H,1H3,(H,16,17).
What are the key properties of methyl 4-(pyridine-3-carbonylamino)benzoate?
methyl 4-(pyridine-3-carbonylamino)benzoate has a molecular weight of 256.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(pyridine-3-carbonylamino)benzoate is sourced from PubChem (CID 766048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).