2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

C14H20N2OS — CID 82522939

IUPAC2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCCCCCn1c2c(cc(C(N)=S)c1=O)CCC2
InChIInChI=1S/C14H20N2OS/c1-2-3-4-8-16-12-7-5-6-10(12)9-11(13(15)18)14(16)17/h9H,2-8H2,1H3,(H2,15,18)
InChIKeyONEDTCGDRXOEIY-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.16
Rot. Bonds5

About 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide

2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (PubChem CID 82522939) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.

Molecular Properties

Compound Name2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
PubChem CID82522939
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
SMILESCCCCCn1c2c(cc(C(N)=S)c1=O)CCC2
InChIInChI=1S/C14H20N2OS/c1-2-3-4-8-16-12-7-5-6-10(12)9-11(13(15)18)14(16)17/h9H,2-8H2,1H3,(H2,15,18)
InChIKeyONEDTCGDRXOEIY-UHFFFAOYSA-N
XLogP2.16
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
CID 82522950
3-(aminomethyl)-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522932
3-acetyl-1-propyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522519
1-butyl-3-ethyl-5,6,7,8-tetrahydroquinolin-2-one
CID 13169244
methyl (2R)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoate
CID 69474412
methyl 2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoate
CID 67520066
(2S)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoic acid
CID 69475515
1-[(1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 70696000
1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbaldehyde
CID 89153702
1-butyl-N-[(4-methylphenyl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 23587722
1-cyclopropyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 82523116
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The IUPAC name of 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide (CID 82522939) is 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide.
What is the SMILES notation for 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The canonical SMILES for 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is CCCCCn1c2c(cc(C(N)=S)c1=O)CCC2.
What is the InChIKey of 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
The InChIKey is ONEDTCGDRXOEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-3-4-8-16-12-7-5-6-10(12)9-11(13(15)18)14(16)17/h9H,2-8H2,1H3,(H2,15,18).
What are the key properties of 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide?
2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide has a molecular weight of 264.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-pentyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide is sourced from PubChem (CID 82522939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).