N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

C13H18N2O2S — CID 114117445

IUPACN-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCSC1(CNC(=O)c2cc[nH]c(=O)c2)CCCC1
InChIInChI=1S/C13H18N2O2S/c1-18-13(5-2-3-6-13)9-15-12(17)10-4-7-14-11(16)8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,14,16)(H,15,17)
InChIKeyHNHCNOIZOAEBFB-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.78
Rot. Bonds4

About N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 114117445) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID114117445
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCSC1(CNC(=O)c2cc[nH]c(=O)c2)CCCC1
InChIInChI=1S/C13H18N2O2S/c1-18-13(5-2-3-6-13)9-15-12(17)10-4-7-14-11(16)8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,14,16)(H,15,17)
InChIKeyHNHCNOIZOAEBFB-UHFFFAOYSA-N
XLogP1.78
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-(2-propylpentyl)-1H-pyridine-4-carboxamide
CID 143746540
N-(3-cyclopentylpropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 38336574
N-(cyclopentylmethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 40254373
1-methyl-N-(1-methylcyclopentyl)-2-oxopyridine-4-carboxamide
CID 47416963
4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)-1H-pyridin-2-one
CID 71851020
N-(2-cyclopentylsulfanylethyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 75414528
1-ethyl-N-[3-(methylthio)propyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77095881
N-[(2-methylthiolan-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 80528510
1-methyl-N-[(1-methylcyclopentyl)methyl]-2-oxopyridine-4-carboxamide
CID 103653504
N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
N-(2-ethyl-2-methylsulfanylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103709324
N-(3-ethylsulfanylcyclopentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709486

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 114117445) is N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is CSC1(CNC(=O)c2cc[nH]c(=O)c2)CCCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is HNHCNOIZOAEBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-18-13(5-2-3-6-13)9-15-12(17)10-4-7-14-11(16)8-10/h4,7-8H,2-3,5-6,9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 114117445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).