N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide

C13H13ClN2O3S — CID 142566473

IUPACN-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESCOc1c(Cl)cccc1NC(=S)C1=C(O)CCNC1=O
InChIInChI=1S/C13H13ClN2O3S/c1-19-11-7(14)3-2-4-8(11)16-13(20)10-9(17)5-6-15-12(10)18/h2-4,17H,5-6H2,1H3,(H,15,18)(H,16,20)
InChIKeyZDLGGVZARIHHDL-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.42
Rot. Bonds3

About N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide

N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (PubChem CID 142566473) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
PubChem CID142566473
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESCOc1c(Cl)cccc1NC(=S)C1=C(O)CCNC1=O
InChIInChI=1S/C13H13ClN2O3S/c1-19-11-7(14)3-2-4-8(11)16-13(20)10-9(17)5-6-15-12(10)18/h2-4,17H,5-6H2,1H3,(H,15,18)(H,16,20)
InChIKeyZDLGGVZARIHHDL-UHFFFAOYSA-N
XLogP2.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluoro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 155071848
N-(3-chloro-2-methoxyphenyl)-4-[(3-methoxy-4-pyridinyl)methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 163224436
N-(3-chloro-2-methoxyphenyl)-4-hydroxy-2-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[b]pyridine-3-carbothioamide
CID 166781696
N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 142566608
5-[(3-chloro-2-methoxyphenyl)carbamothioyl]-6-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 175716779
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
N-(2-bromo-3-chlorophenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 164775103
2-(3-chloro-2-methoxyanilino)ethanol
CID 130667587
N-(3-chloro-2-methoxyphenyl)-4-[[3-(1,4-dioxan-2-ylmethoxy)-4-pyridinyl]-methylamino]-3-methyl-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
CID 166773307
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
3-(3-chloro-2-methoxyanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163235466
tert-butyl N-[2-[[4-[[[5-[(3-fluoro-2-methoxyphenyl)carbamothioyl]-6-oxo-2,3-dihydro-1H-pyridin-4-yl]amino]methyl]-3-pyridinyl]oxy]ethyl]carbamate
CID 163609887

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (CID 142566473) is N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is COc1c(Cl)cccc1NC(=S)C1=C(O)CCNC1=O.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The InChIKey is ZDLGGVZARIHHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-19-11-7(14)3-2-4-8(11)16-13(20)10-9(17)5-6-15-12(10)18/h2-4,17H,5-6H2,1H3,(H,15,18)(H,16,20).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide has a molecular weight of 312.78 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is sourced from PubChem (CID 142566473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).