ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate

C27H29N3O5 — CID 3191387

IUPACethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)cc1
InChIInChI=1S/C27H29N3O5/c1-2-34-27(33)20-10-12-22(13-11-20)30(26(32)23-9-6-18-35-23)24(19-14-16-28-17-15-19)25(31)29-21-7-4-3-5-8-21/h6,9-18,21,24H,2-5,7-8H2,1H3,(H,29,31)
InChIKeyFFGOQEZKIUPZIN-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.69
Rot. Bonds8

About ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate

ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate (PubChem CID 3191387) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate
PubChem CID3191387
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Nameethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)cc1
InChIInChI=1S/C27H29N3O5/c1-2-34-27(33)20-10-12-22(13-11-20)30(26(32)23-9-6-18-35-23)24(19-14-16-28-17-15-19)25(31)29-21-7-4-3-5-8-21/h6,9-18,21,24H,2-5,7-8H2,1H3,(H,29,31)
InChIKeyFFGOQEZKIUPZIN-UHFFFAOYSA-N
XLogP4.69
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

Furan-2-carboxamide deriv., 10
CID 44236897
Furan-2-carboxamide deriv., 20
CID 44236906
Furan-2-carboxamide deriv., 25
CID 44236908
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
SPHINX scaffold, 3
CID 73672854
N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
CID 155289416
N-{6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814197
N-{6-[4-(tert-butyl)phenoxy]-3-pyridinyl}-2-furamide
CID 2814271
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
SPHINX scaffold, 2
CID 73672855
MAT-POS-f2460aef-1
CID 154878526

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate (CID 3191387) is ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate is CCOC(=O)c1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)cc1.
What is the InChIKey of ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate?
The InChIKey is FFGOQEZKIUPZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-2-34-27(33)20-10-12-22(13-11-20)30(26(32)23-9-6-18-35-23)24(19-14-16-28-17-15-19)25(31)29-21-7-4-3-5-8-21/h6,9-18,21,24H,2-5,7-8H2,1H3,(H,29,31).
What are the key properties of ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate?
ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate has a molecular weight of 475.55 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(furan-2-carbonyl)amino]benzoate is sourced from PubChem (CID 3191387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).