ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate

C18H21N3O3 — CID 109179823

IUPACethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(NC(C)C)cn1
InChIInChI=1S/C18H21N3O3/c1-4-24-18(23)14-7-5-6-8-15(14)21-17(22)16-10-9-13(11-19-16)20-12(2)3/h5-12,20H,4H2,1-3H3,(H,21,22)
InChIKeyQUPOYEQQVKWWMF-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.33
Rot. Bonds6

About ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate

ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109179823) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109179823
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Nameethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(NC(C)C)cn1
InChIInChI=1S/C18H21N3O3/c1-4-24-18(23)14-7-5-6-8-15(14)21-17(22)16-10-9-13(11-19-16)20-12(2)3/h5-12,20H,4H2,1-3H3,(H,21,22)
InChIKeyQUPOYEQQVKWWMF-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109189577
ethyl 2-[[6-(1-phenylethylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109118806
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate (CID 109179823) is ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(NC(C)C)cn1.
What is the InChIKey of ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is QUPOYEQQVKWWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-24-18(23)14-7-5-6-8-15(14)21-17(22)16-10-9-13(11-19-16)20-12(2)3/h5-12,20H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 327.38 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109179823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).