[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate

C18H20N2O4 — CID 43817592

IUPAC[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
SMILESO=C(OC(C(=O)NC1CCCCC1)c1cccnc1)c1ccco1
InChIInChI=1S/C18H20N2O4/c21-17(20-14-7-2-1-3-8-14)16(13-6-4-10-19-12-13)24-18(22)15-9-5-11-23-15/h4-6,9-12,14,16H,1-3,7-8H2,(H,20,21)
InChIKeyFHYZRTGXGYWKRA-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.02
Rot. Bonds5

About [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate

[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate (PubChem CID 43817592) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
PubChem CID43817592
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
SMILESO=C(OC(C(=O)NC1CCCCC1)c1cccnc1)c1ccco1
InChIInChI=1S/C18H20N2O4/c21-17(20-14-7-2-1-3-8-14)16(13-6-4-10-19-12-13)24-18(22)15-9-5-11-23-15/h4-6,9-12,14,16H,1-3,7-8H2,(H,20,21)
InChIKeyFHYZRTGXGYWKRA-UHFFFAOYSA-N
XLogP3.02
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate 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

[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687864
[(1S)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate
CID 51687865
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 1469985
[2-(cyclohexylamino)-1-(2-methoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 3220223
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3196479
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 3196483
[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate
CID 3220216
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3196481
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 3196519
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 3196515
ethyl 2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 3211852
N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211636

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate (CID 43817592) is [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate is O=C(OC(C(=O)NC1CCCCC1)c1cccnc1)c1ccco1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate?
The InChIKey is FHYZRTGXGYWKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(20-14-7-2-1-3-8-14)16(13-6-4-10-19-12-13)24-18(22)15-9-5-11-23-15/h4-6,9-12,14,16H,1-3,7-8H2,(H,20,21).
What are the key properties of [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate?
[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl] furan-2-carboxylate is sourced from PubChem (CID 43817592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).