2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C18H18F3N3O2 — CID 2813416

IUPAC2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H18F3N3O2/c1-12-13(6-7-16(22-12)18(19,20)21)17(25)23-14-4-2-3-5-15(14)24-8-10-26-11-9-24/h2-7H,8-11H2,1H3,(H,23,25)
InChIKeyDABOPRJJRNNQNC-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.50
Rot. Bonds3

About 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2813416) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2813416
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C18H18F3N3O2/c1-12-13(6-7-16(22-12)18(19,20)21)17(25)23-14-4-2-3-5-15(14)24-8-10-26-11-9-24/h2-7H,8-11H2,1H3,(H,23,25)
InChIKeyDABOPRJJRNNQNC-UHFFFAOYSA-N
XLogP3.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2813416) is 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DABOPRJJRNNQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-12-13(6-7-16(22-12)18(19,20)21)17(25)23-14-4-2-3-5-15(14)24-8-10-26-11-9-24/h2-7H,8-11H2,1H3,(H,23,25).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2813416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).