ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate

C23H23N3O3 — CID 109198079

IUPACethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C23H23N3O3/c1-4-29-23(28)18-7-5-6-8-19(18)26-22(27)20-12-11-17(14-24-20)25-21-13-15(2)9-10-16(21)3/h5-14,25H,4H2,1-3H3,(H,26,27)
InChIKeyJWJHHRDWBBLHIE-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.87
Rot. Bonds6

About ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate

ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109198079) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109198079
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2cc(C)ccc2C)cn1
InChIInChI=1S/C23H23N3O3/c1-4-29-23(28)18-7-5-6-8-19(18)26-22(27)20-12-11-17(14-24-20)25-21-13-15(2)9-10-16(21)3/h5-14,25H,4H2,1-3H3,(H,26,27)
InChIKeyJWJHHRDWBBLHIE-UHFFFAOYSA-N
XLogP4.87
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
ethyl 2-[[2-[(2,5-dimethylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109219823
ethyl 2-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266672
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109184186
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109179823
ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
ethyl 2-[[6-[(2-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109188236
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348
ethyl 2-[[5-(3-methylanilino)pyrazine-2-carbonyl]amino]benzoate
CID 109290006

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate (CID 109198079) is ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(Nc2cc(C)ccc2C)cn1.
What is the InChIKey of ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is JWJHHRDWBBLHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-4-29-23(28)18-7-5-6-8-19(18)26-22(27)20-12-11-17(14-24-20)25-21-13-15(2)9-10-16(21)3/h5-14,25H,4H2,1-3H3,(H,26,27).
What are the key properties of ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 389.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109198079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).