2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide

C17H15F4N3O2 — CID 67509549

IUPAC2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cc(C(F)(F)F)ccc2F)cc(C)n1
InChIInChI=1S/C17H15F4N3O2/c1-9-5-11(7-15(23-9)24-10(2)25)16(26)22-8-12-6-13(17(19,20)21)3-4-14(12)18/h3-7H,8H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyKYUGIDBCAGWHAJ-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.44
Rot. Bonds4

About 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide

2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide (PubChem CID 67509549) has the molecular formula C17H15F4N3O2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
PubChem CID67509549
Molecular FormulaC17H15F4N3O2
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC Name2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cc(C(F)(F)F)ccc2F)cc(C)n1
InChIInChI=1S/C17H15F4N3O2/c1-9-5-11(7-15(23-9)24-10(2)25)16(26)22-8-12-6-13(17(19,20)21)3-4-14(12)18/h3-7H,8H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyKYUGIDBCAGWHAJ-UHFFFAOYSA-N
XLogP3.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide (CID 67509549) is 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCc2cc(C(F)(F)F)ccc2F)cc(C)n1.
What is the InChIKey of 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide?
The InChIKey is KYUGIDBCAGWHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2/c1-9-5-11(7-15(23-9)24-10(2)25)16(26)22-8-12-6-13(17(19,20)21)3-4-14(12)18/h3-7H,8H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide?
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 67509549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).