ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate

C24H30N4O6 — CID 3211852

IUPACethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C24H30N4O6/c1-2-33-21(30)16-28(20(29)15-26-23(31)19-11-7-13-34-19)22(17-8-6-12-25-14-17)24(32)27-18-9-4-3-5-10-18/h6-8,11-14,18,22H,2-5,9-10,15-16H2,1H3,(H,26,31)(H,27,32)
InChIKeyZSOHGBWWZLGXAO-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.99
Rot. Bonds10

About ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate

ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate (PubChem CID 3211852) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
PubChem CID3211852
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC Nameethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C24H30N4O6/c1-2-33-21(30)16-28(20(29)15-26-23(31)19-11-7-13-34-19)22(17-8-6-12-25-14-17)24(32)27-18-9-4-3-5-10-18/h6-8,11-14,18,22H,2-5,9-10,15-16H2,1H3,(H,26,31)(H,27,32)
InChIKeyZSOHGBWWZLGXAO-UHFFFAOYSA-N
XLogP1.99
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211636
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-2-ethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211863
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211640
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-pyridin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
CID 3211759
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211629
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 651487
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
CID 650817
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196479
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3,5-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211839
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3196481
N-[2-[[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate (CID 3211852) is ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate is CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is ZSOHGBWWZLGXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-2-33-21(30)16-28(20(29)15-26-23(31)19-11-7-13-34-19)22(17-8-6-12-25-14-17)24(32)27-18-9-4-3-5-10-18/h6-8,11-14,18,22H,2-5,9-10,15-16H2,1H3,(H,26,31)(H,27,32).
What are the key properties of ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate?
ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 470.53 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 3211852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).