N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide

C18H18F3N3O2 — CID 51324941

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-12-4-5-13(11-15(12)18(19,20)21)23-17(25)14-3-2-6-22-16(14)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3,(H,23,25)
InChIKeyJIMPQLSFMTULGG-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.50
Rot. Bonds3

About N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 51324941) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID51324941
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-12-4-5-13(11-15(12)18(19,20)21)23-17(25)14-3-2-6-22-16(14)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3,(H,23,25)
InChIKeyJIMPQLSFMTULGG-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 N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 51324941) is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is JIMPQLSFMTULGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-12-4-5-13(11-15(12)18(19,20)21)23-17(25)14-3-2-6-22-16(14)24-7-9-26-10-8-24/h2-6,11H,7-10H2,1H3,(H,23,25).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-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 N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 51324941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).