2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C17H16F3N3O2 — CID 126470609

IUPAC2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(=O)N(C)c1nc(-c2ccccc2)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H16F3N3O2/c1-11(24)23(2)15-13(16(25)21-10-17(18,19)20)8-9-14(22-15)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyODEMTJYIJIILIL-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.02
Rot. Bonds4

About 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 126470609) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID126470609
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(=O)N(C)c1nc(-c2ccccc2)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C17H16F3N3O2/c1-11(24)23(2)15-13(16(25)21-10-17(18,19)20)8-9-14(22-15)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyODEMTJYIJIILIL-UHFFFAOYSA-N
XLogP3.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 126470609) is 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CC(=O)N(C)c1nc(-c2ccccc2)ccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is ODEMTJYIJIILIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-11(24)23(2)15-13(16(25)21-10-17(18,19)20)8-9-14(22-15)12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,21,25).
What are the key properties of 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-6-phenyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126470609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).