ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate

C18H21N3O3 — CID 109179210

IUPACethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCCNC(=O)c1ccc(Nc2ccc(C(=O)OCC)cc2)cn1
InChIInChI=1S/C18H21N3O3/c1-3-11-19-17(22)16-10-9-15(12-20-16)21-14-7-5-13(6-8-14)18(23)24-4-2/h5-10,12,21H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyGATDTVJAMPMIKU-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.14
Rot. Bonds7

About ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate

ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate (PubChem CID 109179210) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
PubChem CID109179210
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCCNC(=O)c1ccc(Nc2ccc(C(=O)OCC)cc2)cn1
InChIInChI=1S/C18H21N3O3/c1-3-11-19-17(22)16-10-9-15(12-20-16)21-14-7-5-13(6-8-14)18(23)24-4-2/h5-10,12,21H,3-4,11H2,1-2H3,(H,19,22)
InChIKeyGATDTVJAMPMIKU-UHFFFAOYSA-N
XLogP3.14
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
ethyl 4-[[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109185434
ethyl 4-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189443
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109200797
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
ethyl 4-[[5-(2-methoxyethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109275812
ethyl 4-[[5-(3,4-difluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200789
ethyl 4-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109196834
ethyl 5-(4-methylanilino)pyridine-2-carboxylate
CID 155674301
ethyl 4-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrazin-2-yl]amino]benzoate
CID 109277253
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate (CID 109179210) is ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate is CCCNC(=O)c1ccc(Nc2ccc(C(=O)OCC)cc2)cn1.
What is the InChIKey of ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate?
The InChIKey is GATDTVJAMPMIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-11-19-17(22)16-10-9-15(12-20-16)21-14-7-5-13(6-8-14)18(23)24-4-2/h5-10,12,21H,3-4,11H2,1-2H3,(H,19,22).
What are the key properties of ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate?
ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109179210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).