ethyl 2-(pyridine-3-carbonylamino)benzoate

C15H14N2O3 — CID 771966

IUPACethyl 2-(pyridine-3-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)12-7-3-4-8-13(12)17-14(18)11-6-5-9-16-10-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyNEQMJQDDSSFQCD-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.51
Rot. Bonds4

About ethyl 2-(pyridine-3-carbonylamino)benzoate

ethyl 2-(pyridine-3-carbonylamino)benzoate (PubChem CID 771966) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 2-(pyridine-3-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(pyridine-3-carbonylamino)benzoate
PubChem CID771966
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-(pyridine-3-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)12-7-3-4-8-13(12)17-14(18)11-6-5-9-16-10-11/h3-10H,2H2,1H3,(H,17,18)
InChIKeyNEQMJQDDSSFQCD-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
Hexyl nicotinate
CID 90202
Octyl nicotinate
CID 96462
Ethyl 4-(pyridine-3-carbonylamino)benzoate
CID 279888
Benzoic acid, 2-((3-pyridinylcarbonyl)amino)-, methyl ester, monohydrochloride
CID 40076
Benzoic acid, 3-((3-pyridinylcarbonyl)amino)-, methyl ester, N-oxide
CID 47522
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
2-[(Cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid
CID 44631844
Ethyl 2-morpholin-4-yl-5-(3-pyridylcarbonylamino)benzoate
CID 3162289
Ethyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115401
methyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 831891
4-({[2-(Methoxycarbonyl)phenyl]amino}carbonyl)-1-methylpyridinium
CID 837410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyridine-3-carbonylamino)benzoate?
The IUPAC name of ethyl 2-(pyridine-3-carbonylamino)benzoate (CID 771966) is ethyl 2-(pyridine-3-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-(pyridine-3-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-(pyridine-3-carbonylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of ethyl 2-(pyridine-3-carbonylamino)benzoate?
The InChIKey is NEQMJQDDSSFQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-20-15(19)12-7-3-4-8-13(12)17-14(18)11-6-5-9-16-10-11/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(pyridine-3-carbonylamino)benzoate?
ethyl 2-(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 2-(pyridine-3-carbonylamino)benzoate is sourced from PubChem (CID 771966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).