N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide

C14H15N3O2S — CID 123709602

IUPACN-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide
SMILESCSc1c(CNC(C)=O)[nH]c(-c2ccccn2)cc1=O
InChIInChI=1S/C14H15N3O2S/c1-9(18)16-8-12-14(20-2)13(19)7-11(17-12)10-5-3-4-6-15-10/h3-7H,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFTGTWTTUGITASW-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.79
Rot. Bonds4

About N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide

N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide (PubChem CID 123709602) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide
PubChem CID123709602
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide
SMILESCSc1c(CNC(C)=O)[nH]c(-c2ccccn2)cc1=O
InChIInChI=1S/C14H15N3O2S/c1-9(18)16-8-12-14(20-2)13(19)7-11(17-12)10-5-3-4-6-15-10/h3-7H,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyFTGTWTTUGITASW-UHFFFAOYSA-N
XLogP1.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridine-2-carbonyl)amino]pentanoic acid
CID 123185620
6-pyridin-2-yl-4-sulfanylidene-1H-pyrimidin-2-one
CID 121206451
N-[(4-fluorophenyl)methyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 47074210
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
4-methoxy-6-pyridin-2-yl-1H-pyridin-2-one
CID 121218166
1-ethyl-3-(5-methyl-2-pyridin-2-yl-1H-indol-7-yl)urea
CID 25213947
N-[2-(methylamino)propyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 120829946
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-[(2-fluoro-3-pyridinyl)methyl]acetamide
CID 130400765
N-[(6-oxo-1H-pyrimidin-2-yl)methyl]acetamide
CID 177366183
2,6-dimethyl-3-pyridin-2-yl-1H-pyridin-4-one
CID 18946451
4-methoxy-3-methylsulfanyl-6-pyridin-2-ylpyridine-2-carboxylic acid
CID 132596392

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide?
The IUPAC name of N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide (CID 123709602) is N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide is CSc1c(CNC(C)=O)[nH]c(-c2ccccn2)cc1=O.
What is the InChIKey of N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide?
The InChIKey is FTGTWTTUGITASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9(18)16-8-12-14(20-2)13(19)7-11(17-12)10-5-3-4-6-15-10/h3-7H,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide?
N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylsulfanyl-4-oxo-6-pyridin-2-yl-1H-pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 123709602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).