N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide

C23H24FN3O3S — CID 645293

IUPACN-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide
SMILESO=C1CC(C(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccccn2)CS1
InChIInChI=1S/C23H24FN3O3S/c24-16-8-10-18(11-9-16)27(23(30)15-13-20(28)31-14-15)21(19-7-3-4-12-25-19)22(29)26-17-5-1-2-6-17/h3-4,7-12,15,17,21H,1-2,5-6,13-14H2,(H,26,29)
InChIKeyLZADTHIOEYAMOE-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.63
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide

N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide (PubChem CID 645293) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide
PubChem CID645293
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC NameN-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide
SMILESO=C1CC(C(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccccn2)CS1
InChIInChI=1S/C23H24FN3O3S/c24-16-8-10-18(11-9-16)27(23(30)15-13-20(28)31-14-15)21(19-7-3-4-12-25-19)22(29)26-17-5-1-2-6-17/h3-4,7-12,15,17,21H,1-2,5-6,13-14H2,(H,26,29)
InChIKeyLZADTHIOEYAMOE-UHFFFAOYSA-N
XLogP3.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(3-fluorophenyl)-5-oxothiolane-3-carboxamide
CID 1431452
N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-5-oxothiolane-3-carboxamide
CID 3227547
(2R)-N-cyclohexyl-2-(4-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-2-ylacetamide
CID 25310452
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2,6-dimethylphenyl)-5-oxothiolane-3-carboxamide
CID 3227543
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-methoxyphenyl)-5-oxothiolane-3-carboxamide
CID 43817243
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373528
N-(4-acetylphenyl)-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]pyridine-2-carboxamide
CID 3206084
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-2-ylacetamide
CID 3191151
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 3200686
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 3228313

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide (CID 645293) is N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide is O=C1CC(C(=O)N(c2ccc(F)cc2)C(C(=O)NC2CCCC2)c2ccccn2)CS1.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide?
The InChIKey is LZADTHIOEYAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c24-16-8-10-18(11-9-16)27(23(30)15-13-20(28)31-14-15)21(19-7-3-4-12-25-19)22(29)26-17-5-1-2-6-17/h3-4,7-12,15,17,21H,1-2,5-6,13-14H2,(H,26,29).
What are the key properties of N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide?
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)-5-oxothiolane-3-carboxamide is sourced from PubChem (CID 645293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).