ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate

C19H23N3O3 — CID 109238980

IUPACethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cncc(N(CC)CC)c2)cc1
InChIInChI=1S/C19H23N3O3/c1-4-22(5-2)17-11-15(12-20-13-17)18(23)21-16-9-7-14(8-10-16)19(24)25-6-3/h7-13H,4-6H2,1-3H3,(H,21,23)
InChIKeyNCDKJSBPLXWYEM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.36
Rot. Bonds7

About ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate

ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109238980) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate
PubChem CID109238980
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cncc(N(CC)CC)c2)cc1
InChIInChI=1S/C19H23N3O3/c1-4-22(5-2)17-11-15(12-20-13-17)18(23)21-16-9-7-14(8-10-16)19(24)25-6-3/h7-13H,4-6H2,1-3H3,(H,21,23)
InChIKeyNCDKJSBPLXWYEM-UHFFFAOYSA-N
XLogP3.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(diethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109262560
5-(diethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109238900
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
N-(4-acetamidophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241075
ethyl 4-[[5-(4-acetylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109231269
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
ethyl 4-[4-(pyridine-3-carbonylamino)anilino]benzoate
CID 112989376
ethyl 4-[[4-(diethylcarbamoyl)benzoyl]amino]benzoate
CID 109048450
N-[4-(dimethylamino)phenyl]-5-(dipropylamino)pyridine-3-carboxamide
CID 109241081
ethyl 4-[(4-acetylbenzoyl)amino]benzoate
CID 4687806
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate (CID 109238980) is ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cncc(N(CC)CC)c2)cc1.
What is the InChIKey of ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is NCDKJSBPLXWYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-22(5-2)17-11-15(12-20-13-17)18(23)21-16-9-7-14(8-10-16)19(24)25-6-3/h7-13H,4-6H2,1-3H3,(H,21,23).
What are the key properties of ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate?
ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(diethylamino)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109238980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).