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

C18H18F3N3O2 — CID 126474384

IUPAC2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(=O)N(C)c1nc(-c2ccccc2C)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-11-6-4-5-7-13(11)15-9-8-14(16(23-15)24(3)12(2)25)17(26)22-10-18(19,20)21/h4-9H,10H2,1-3H3,(H,22,26)
InChIKeyHAUIXYIJOFELRT-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.33
Rot. Bonds4

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

2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 126474384) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID126474384
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCC(=O)N(C)c1nc(-c2ccccc2C)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-11-6-4-5-7-13(11)15-9-8-14(16(23-15)24(3)12(2)25)17(26)22-10-18(19,20)21/h4-9H,10H2,1-3H3,(H,22,26)
InChIKeyHAUIXYIJOFELRT-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.33
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-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 126474384) is 2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CC(=O)N(C)c1nc(-c2ccccc2C)ccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is HAUIXYIJOFELRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11-6-4-5-7-13(11)15-9-8-14(16(23-15)24(3)12(2)25)17(26)22-10-18(19,20)21/h4-9H,10H2,1-3H3,(H,22,26).
What are the key properties of 2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
2-[acetyl(methyl)amino]-6-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.33, 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-(2-methylphenyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126474384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).