N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide

C11H16N2O2S — CID 115604124

IUPACN-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCSC(C)CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O2S/c1-8(16-2)5-6-12-11(15)9-3-4-10(14)13-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRQOQOMWXPWTOHF-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.25
Rot. Bonds5

About N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide

N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 115604124) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID115604124
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCSC(C)CCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O2S/c1-8(16-2)5-6-12-11(15)9-3-4-10(14)13-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyRQOQOMWXPWTOHF-UHFFFAOYSA-N
XLogP1.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromopentyl)-6-oxo-1H-pyridine-3-carboxamide
CID 106130808
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
CID 113434734
N-(4-amino-4-oxobutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47189186
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115609109
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
N-(2,3-dihydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 66176023
2-chloro-N-(3-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115604079
N-(2-benzylsulfanylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 17406782

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide (CID 115604124) is N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide is CSC(C)CCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RQOQOMWXPWTOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(16-2)5-6-12-11(15)9-3-4-10(14)13-7-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115604124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).