2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide

C16H17FN2OS — CID 17481408

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide
SMILESCc1nc(SCc2cccc(F)c2)c(C(N)=O)c(C)c1C
InChIInChI=1S/C16H17FN2OS/c1-9-10(2)14(15(18)20)16(19-11(9)3)21-8-12-5-4-6-13(17)7-12/h4-7H,8H2,1-3H3,(H2,18,20)
InChIKeyRPJVQMPLALRBCH-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.54
Rot. Bonds4

About 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide

2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide (PubChem CID 17481408) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide
PubChem CID17481408
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide
SMILESCc1nc(SCc2cccc(F)c2)c(C(N)=O)c(C)c1C
InChIInChI=1S/C16H17FN2OS/c1-9-10(2)14(15(18)20)16(19-11(9)3)21-8-12-5-4-6-13(17)7-12/h4-7H,8H2,1-3H3,(H2,18,20)
InChIKeyRPJVQMPLALRBCH-UHFFFAOYSA-N
XLogP3.54
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide (CID 17481408) is 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide is Cc1nc(SCc2cccc(F)c2)c(C(N)=O)c(C)c1C.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide?
The InChIKey is RPJVQMPLALRBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-9-10(2)14(15(18)20)16(19-11(9)3)21-8-12-5-4-6-13(17)7-12/h4-7H,8H2,1-3H3,(H2,18,20).
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide?
2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 17481408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).