N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

C13H12N4O3S — CID 126184841

IUPACN-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESCc1cccnc1NC(=O)CSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H12N4O3S/c1-9-3-2-6-14-13(9)16-11(18)8-21-12-5-4-10(7-15-12)17(19)20/h2-7H,8H2,1H3,(H,14,16,18)
InChIKeyLIPQSNZZQMWJDS-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.42
Rot. Bonds5

About N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 126184841) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID126184841
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESCc1cccnc1NC(=O)CSc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H12N4O3S/c1-9-3-2-6-14-13(9)16-11(18)8-21-12-5-4-10(7-15-12)17(19)20/h2-7H,8H2,1H3,(H,14,16,18)
InChIKeyLIPQSNZZQMWJDS-UHFFFAOYSA-N
XLogP2.42
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124594955
N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124595289
N-(3,5-dichlorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 16654172
N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 2949758
N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
CID 52671364
N-[(1R)-2-methyl-1-[4-methyl-5-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]propyl]-3-nitrobenzamide
CID 126130683
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
CID 27896934
2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 30028187
N-(3-methyl-2-pyridinyl)-2-(7-nitro-2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39060642
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
N-(2-fluoro-5-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 18077302

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (CID 126184841) is N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is Cc1cccnc1NC(=O)CSc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is LIPQSNZZQMWJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-9-3-2-6-14-13(9)16-11(18)8-21-12-5-4-10(7-15-12)17(19)20/h2-7H,8H2,1H3,(H,14,16,18).
What are the key properties of N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 304.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 126184841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).