2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide

C16H21ClN2O4S — CID 75426289

IUPAC2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cn1c(Cl)cccc1=O)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H21ClN2O4S/c17-14-6-3-7-15(20)18(14)10-16(21)19(12-4-1-2-5-12)13-8-9-24(22,23)11-13/h3,6-7,12-13H,1-2,4-5,8-11H2
InChIKeyGCEGCVZGWPWGOI-UHFFFAOYSA-N
MW372.87 g/mol
LogP1.46
Rot. Bonds4

About 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide

2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 75426289) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID75426289
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC Name2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(Cn1c(Cl)cccc1=O)N(C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H21ClN2O4S/c17-14-6-3-7-15(20)18(14)10-16(21)19(12-4-1-2-5-12)13-8-9-24(22,23)11-13/h3,6-7,12-13H,1-2,4-5,8-11H2
InChIKeyGCEGCVZGWPWGOI-UHFFFAOYSA-N
XLogP1.46
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 51727046
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 8986686
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 55501447
2-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55387385
2-(4-chlorophenyl)sulfanyl-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55390046
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7697526
2-(7-chloro-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42922496
2-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 98786584
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 36545692
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40942048
N-cyclopentyl-2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 31320614

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 75426289) is 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide is O=C(Cn1c(Cl)cccc1=O)N(C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is GCEGCVZGWPWGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c17-14-6-3-7-15(20)18(14)10-16(21)19(12-4-1-2-5-12)13-8-9-24(22,23)11-13/h3,6-7,12-13H,1-2,4-5,8-11H2.
What are the key properties of 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 372.87 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 75426289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).