5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H21F3N4O4 — CID 118195262

IUPAC5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOCC2)c(-c2ccc(CO)nc2)c1
InChIInChI=1S/C23H21F3N4O4/c24-23(25,26)34-19-5-3-17(4-6-19)29-22(32)16-11-20(15-1-2-18(14-31)27-12-15)21(28-13-16)30-7-9-33-10-8-30/h1-6,11-13,31H,7-10,14H2,(H,29,32)
InChIKeyXQHZLUCTIKHAMX-UHFFFAOYSA-N
MW474.44 g/mol
LogP3.62
Rot. Bonds6

About 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195262) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195262
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOCC2)c(-c2ccc(CO)nc2)c1
InChIInChI=1S/C23H21F3N4O4/c24-23(25,26)34-19-5-3-17(4-6-19)29-22(32)16-11-20(15-1-2-18(14-31)27-12-15)21(28-13-16)30-7-9-33-10-8-30/h1-6,11-13,31H,7-10,14H2,(H,29,32)
InChIKeyXQHZLUCTIKHAMX-UHFFFAOYSA-N
XLogP3.62
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-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 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195262) is 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOCC2)c(-c2ccc(CO)nc2)c1.
What is the InChIKey of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is XQHZLUCTIKHAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c24-23(25,26)34-19-5-3-17(4-6-19)29-22(32)16-11-20(15-1-2-18(14-31)27-12-15)21(28-13-16)30-7-9-33-10-8-30/h1-6,11-13,31H,7-10,14H2,(H,29,32).
What are the key properties of 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(hydroxymethyl)-3-pyridinyl]-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).