ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate

C19H23N3O3 — CID 109151943

IUPACethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C19H23N3O3/c1-4-25-19(24)15-7-5-6-8-16(15)22-17-10-9-14(12-20-17)18(23)21-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWHRGGEHYEFQLQQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.39
Rot. Bonds7

About ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate

ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate (PubChem CID 109151943) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
PubChem CID109151943
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C19H23N3O3/c1-4-25-19(24)15-7-5-6-8-16(15)22-17-10-9-14(12-20-17)18(23)21-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWHRGGEHYEFQLQQ-UHFFFAOYSA-N
XLogP3.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913
ethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153975
ethyl 2-[[4-(2-methylpropylcarbamoyl)benzoyl]amino]benzoate
CID 109044011
ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109154207
ethyl 2-[[5-(cycloheptylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161084
ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526
ethyl 2-[[4-(2-methylpropylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109297071
ethyl 2-[[5-[(2,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164884
ethyl 2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112855434
ethyl 2-[[6-(4-ethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162871
ethyl 2-[[5-[(2-chlorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113022610
methyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate (CID 109151943) is ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)NCC(C)C)cn1.
What is the InChIKey of ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate?
The InChIKey is WHRGGEHYEFQLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-25-19(24)15-7-5-6-8-16(15)22-17-10-9-14(12-20-17)18(23)21-11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate?
ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109151943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).