5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

C10H11ClF3N3OS — CID 106433045

IUPAC5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCSC(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N3OS/c1-15-8-7(11)4-6(5-17-8)9(18)16-2-3-19-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,17)(H,16,18)
InChIKeyFCIHVTSIWBSMLF-UHFFFAOYSA-N
MW313.73 g/mol
LogP2.76
Rot. Bonds5

About 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide

5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide (PubChem CID 106433045) has the molecular formula C10H11ClF3N3OS and a molecular weight of 313.73 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
PubChem CID106433045
Molecular FormulaC10H11ClF3N3OS
Molecular Weight313.73 g/mol
Exact Mass313.03
IUPAC Name5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCSC(F)(F)F)cc1Cl
InChIInChI=1S/C10H11ClF3N3OS/c1-15-8-7(11)4-6(5-17-8)9(18)16-2-3-19-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,17)(H,16,18)
InChIKeyFCIHVTSIWBSMLF-UHFFFAOYSA-N
XLogP2.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963372
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106280091
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62312710
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486134
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62531418

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide (CID 106433045) is 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide is CNc1ncc(C(=O)NCCSC(F)(F)F)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
The InChIKey is FCIHVTSIWBSMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3OS/c1-15-8-7(11)4-6(5-17-8)9(18)16-2-3-19-10(12,13)14/h4-5H,2-3H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide has a molecular weight of 313.73 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106433045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).