ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

C21H23N3O4 — CID 109081013

IUPACethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C21H23N3O4/c1-2-28-21(27)16-9-5-6-10-17(16)24-19(25)14-11-12-22-18(13-14)20(26)23-15-7-3-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyVSGXBELQIOTBEI-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.18
Rot. Bonds6

About ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate

ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (PubChem CID 109081013) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
PubChem CID109081013
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Nameethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C21H23N3O4/c1-2-28-21(27)16-9-5-6-10-17(16)24-19(25)14-11-12-22-18(13-14)20(26)23-15-7-3-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)(H,24,25)
InChIKeyVSGXBELQIOTBEI-UHFFFAOYSA-N
XLogP3.18
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(cycloheptylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109089488
ethyl 2-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175109
2-N-cycloheptyl-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089442
ethyl 2-[[2-(azepane-1-carbonyl)pyridine-4-carbonyl]amino]benzoate
CID 109090798
ethyl 2-[[2-(prop-2-enylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109079172
ethyl 2-[[4-(3-methylbutylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089636
ethyl 2-[[2-(dipropylcarbamoyl)pyridine-4-carbonyl]amino]benzoate
CID 109090611
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
ethyl 2-[[4-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109311613
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
2-N-cyclohexyl-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109081583
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate (CID 109081013) is ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccnc(C(=O)NC2CCCC2)c1.
What is the InChIKey of ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
The InChIKey is VSGXBELQIOTBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-2-28-21(27)16-9-5-6-10-17(16)24-19(25)14-11-12-22-18(13-14)20(26)23-15-7-3-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate?
ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate has a molecular weight of 381.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclopentylcarbamoyl)pyridine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109081013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).