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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Related Compounds

N-[4-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 163894758
N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
CID 170149403
N-[3-[2-[1-[1-(2-methoxyethyl)pyrazol-4-yl]benzimidazol-5-yl]ethynyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 135125890
N-(3-fluoro-4-methyl-5-nitrophenyl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164905465
N-[3-(7-amino-8-chloro-1,6-naphthyridin-3-yl)-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 171520632
N-[4-methyl-3-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 155253604
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]pyridine-2-carboxamide
CID 63334015
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171

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).