N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C23H21F3N4O2 — CID 118887119

IUPACN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H21F3N4O2/c1-15-2-3-18(29-22(31)17-5-6-27-20(12-17)23(24,25)26)14-19(15)16-4-7-28-21(13-16)30-8-10-32-11-9-30/h2-7,12-14H,8-11H2,1H3,(H,29,31)
InChIKeyXMKZIAJYFCXPPO-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.56
Rot. Bonds4

About N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 118887119) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID118887119
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C23H21F3N4O2/c1-15-2-3-18(29-22(31)17-5-6-27-20(12-17)23(24,25)26)14-19(15)16-4-7-28-21(13-16)30-8-10-32-11-9-30/h2-7,12-14H,8-11H2,1H3,(H,29,31)
InChIKeyXMKZIAJYFCXPPO-UHFFFAOYSA-N
XLogP4.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 118887119) is N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is XMKZIAJYFCXPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-15-2-3-18(29-22(31)17-5-6-27-20(12-17)23(24,25)26)14-19(15)16-4-7-28-21(13-16)30-8-10-32-11-9-30/h2-7,12-14H,8-11H2,1H3,(H,29,31).
What are the key properties of N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 118887119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).