ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate

C25H20N2O3 — CID 71659694

IUPACethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2cccc3cccc(NC(=O)c4ccccn4)c23)cc1
InChIInChI=1S/C25H20N2O3/c1-2-30-25(29)19-14-12-17(13-15-19)20-9-5-7-18-8-6-11-21(23(18)20)27-24(28)22-10-3-4-16-26-22/h3-16H,2H2,1H3,(H,27,28)
InChIKeyQGFJIWMRRZKDTH-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.33
Rot. Bonds5

About ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate

ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate (PubChem CID 71659694) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate
PubChem CID71659694
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Nameethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2cccc3cccc(NC(=O)c4ccccn4)c23)cc1
InChIInChI=1S/C25H20N2O3/c1-2-30-25(29)19-14-12-17(13-15-19)20-9-5-7-18-8-6-11-21(23(18)20)27-24(28)22-10-3-4-16-26-22/h3-16H,2H2,1H3,(H,27,28)
InChIKeyQGFJIWMRRZKDTH-UHFFFAOYSA-N
XLogP5.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[8-(4-tert-butylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 72714120
ethyl 4-[(3-amino-2-pyridinyl)amino]benzoate;ethyl 4-[[3-(pyridine-2-carbonylamino)-2-pyridinyl]amino]benzoate
CID 160687820
N-[5-(4-methylphenyl)naphthalen-1-yl]pyridine-2-carboxamide
CID 139242174
N-[8-(2-methylphenyl)sulfanylnaphthalen-1-yl]pyridine-2-carboxamide
CID 102531877
ethyl pyridine-2-carboxylate
CID 17307
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
ethyl 4-(4-ethylphenyl)-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 19224306
ethyl 4-(2,6-dipyridin-2-yl-4-pyridinyl)benzoate
CID 102197724
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659919
ethyl 4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]benzoate
CID 138989702
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate?
The IUPAC name of ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate (CID 71659694) is ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate?
The canonical SMILES for ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate is CCOC(=O)c1ccc(-c2cccc3cccc(NC(=O)c4ccccn4)c23)cc1.
What is the InChIKey of ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate?
The InChIKey is QGFJIWMRRZKDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-2-30-25(29)19-14-12-17(13-15-19)20-9-5-7-18-8-6-11-21(23(18)20)27-24(28)22-10-3-4-16-26-22/h3-16H,2H2,1H3,(H,27,28).
What are the key properties of ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate?
ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate has a molecular weight of 396.45 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[8-(pyridine-2-carbonylamino)naphthalen-1-yl]benzoate is sourced from PubChem (CID 71659694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).