ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate

C21H26N4O4 — CID 109154207

IUPACethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)NCCN2CCOCC2)cn1
InChIInChI=1S/C21H26N4O4/c1-2-29-21(27)17-5-3-4-6-18(17)24-19-8-7-16(15-23-19)20(26)22-9-10-25-11-13-28-14-12-25/h3-8,15H,2,9-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyOTUVMTMUEGHOQR-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.06
Rot. Bonds8

About ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate

ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate (PubChem CID 109154207) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
PubChem CID109154207
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Nameethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1Nc1ccc(C(=O)NCCN2CCOCC2)cn1
InChIInChI=1S/C21H26N4O4/c1-2-29-21(27)17-5-3-4-6-18(17)24-19-8-7-16(15-23-19)20(26)22-9-10-25-11-13-28-14-12-25/h3-8,15H,2,9-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyOTUVMTMUEGHOQR-UHFFFAOYSA-N
XLogP2.06
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109154183
6-(2,6-diethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109154157
ethyl 2-[[5-[2-(dimethylamino)ethylcarbamoyl]-2-pyridinyl]amino]benzoate
CID 109153975
ethyl 2-[[5-(2-methylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109151943
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
ethyl 2-[[6-methyl-2-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 112913415
ethyl 2-[[5-(cycloheptylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109161084
N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109154118
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
4-N-(2-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045923
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153848
ethyl 2-[[5-[(4-chlorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163526

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate (CID 109154207) is ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccccc1Nc1ccc(C(=O)NCCN2CCOCC2)cn1.
What is the InChIKey of ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate?
The InChIKey is OTUVMTMUEGHOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-2-29-21(27)17-5-3-4-6-18(17)24-19-8-7-16(15-23-19)20(26)22-9-10-25-11-13-28-14-12-25/h3-8,15H,2,9-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate?
ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate has a molecular weight of 398.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-morpholin-4-ylethylcarbamoyl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109154207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).