ethyl 3-(pyridine-3-carbonylamino)benzoate

C15H14N2O3 — CID 732103

IUPACethyl 3-(pyridine-3-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)11-5-3-7-13(9-11)17-14(18)12-6-4-8-16-10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyNKOLTJZBINRFLL-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.51
Rot. Bonds4

About ethyl 3-(pyridine-3-carbonylamino)benzoate

ethyl 3-(pyridine-3-carbonylamino)benzoate (PubChem CID 732103) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 3-(pyridine-3-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(pyridine-3-carbonylamino)benzoate
PubChem CID732103
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl 3-(pyridine-3-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)11-5-3-7-13(9-11)17-14(18)12-6-4-8-16-10-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyNKOLTJZBINRFLL-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl Nicotinate
CID 7191
Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
2-Methyl-3-[(pyridin-3-ylmethyl)-amino]-benzoic acid
CID 6492091
Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride
CID 40076
Benzoic acid, 3-((3-pyridinylcarbonyl)amino)-, methyl ester, N-oxide
CID 47522
2-[(Cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 44631844
3-[(Pyridin-3-ylmethyl)-amino]-benzoic acid
CID 935607
Ethyl 2-(4-morpholinyl)-5-[(3-pyridinylcarbonyl)amino]benzoate
CID 3162289
Ethyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115401
4-({[2-(Methoxycarbonyl)phenyl]amino}carbonyl)-1-methylpyridinium
CID 837410
2-[(Pyridin-3-ylmethyl)amino]benzoic acid
CID 3442459
2-Pyridin-3-yl-benzo(d)(1,3)oxazin-4-one
CID 722912

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyridine-3-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(pyridine-3-carbonylamino)benzoate (CID 732103) is ethyl 3-(pyridine-3-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(pyridine-3-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(pyridine-3-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of ethyl 3-(pyridine-3-carbonylamino)benzoate?
The InChIKey is NKOLTJZBINRFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-20-15(19)11-5-3-7-13(9-11)17-14(18)12-6-4-8-16-10-12/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 3-(pyridine-3-carbonylamino)benzoate?
ethyl 3-(pyridine-3-carbonylamino)benzoate has a molecular weight of 270.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyridine-3-carbonylamino)benzoate is sourced from PubChem (CID 732103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).