N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

C19H19F3N2OSi — CID 164572625

IUPACN-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1C#C[Si](C)(C)C
InChIInChI=1S/C19H19F3N2OSi/c1-13-5-6-16(11-14(13)8-10-26(2,3)4)24-18(25)17-12-15(7-9-23-17)19(20,21)22/h5-7,9,11-12H,1-4H3,(H,24,25)
InChIKeySYTUTMHHKRIKGW-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.89
Rot. Bonds2

About N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164572625) has the molecular formula C19H19F3N2OSi and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164572625
Molecular FormulaC19H19F3N2OSi
Molecular Weight376.45 g/mol
Exact Mass376.12
IUPAC NameN-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1C#C[Si](C)(C)C
InChIInChI=1S/C19H19F3N2OSi/c1-13-5-6-16(11-14(13)8-10-26(2,3)4)24-18(25)17-12-15(7-9-23-17)19(20,21)22/h5-7,9,11-12H,1-4H3,(H,24,25)
InChIKeySYTUTMHHKRIKGW-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide (CID 164572625) is N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccn2)cc1C#C[Si](C)(C)C.
What is the InChIKey of N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is SYTUTMHHKRIKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2OSi/c1-13-5-6-16(11-14(13)8-10-26(2,3)4)24-18(25)17-12-15(7-9-23-17)19(20,21)22/h5-7,9,11-12H,1-4H3,(H,24,25).
What are the key properties of N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164572625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).