6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C22H20F3N5O4 — CID 118198926

IUPAC6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOC(CO)C2)c(-c2cncnc2)c1
InChIInChI=1S/C22H20F3N5O4/c23-22(24,25)34-17-3-1-16(2-4-17)29-21(32)14-7-19(15-8-26-13-27-9-15)20(28-10-14)30-5-6-33-18(11-30)12-31/h1-4,7-10,13,18,31H,5-6,11-12H2,(H,29,32)
InChIKeyANDSLVATAOPENN-UHFFFAOYSA-N
MW475.43 g/mol
LogP2.89
Rot. Bonds6

About 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118198926) has the molecular formula C22H20F3N5O4 and a molecular weight of 475.43 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118198926
Molecular FormulaC22H20F3N5O4
Molecular Weight475.43 g/mol
Exact Mass475.15
IUPAC Name6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOC(CO)C2)c(-c2cncnc2)c1
InChIInChI=1S/C22H20F3N5O4/c23-22(24,25)34-17-3-1-16(2-4-17)29-21(32)14-7-19(15-8-26-13-27-9-15)20(28-10-14)30-5-6-33-18(11-30)12-31/h1-4,7-10,13,18,31H,5-6,11-12H2,(H,29,32)
InChIKeyANDSLVATAOPENN-UHFFFAOYSA-N
XLogP2.89
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-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 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118198926) is 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOC(CO)C2)c(-c2cncnc2)c1.
What is the InChIKey of 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ANDSLVATAOPENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O4/c23-22(24,25)34-17-3-1-16(2-4-17)29-21(32)14-7-19(15-8-26-13-27-9-15)20(28-10-14)30-5-6-33-18(11-30)12-31/h1-4,7-10,13,18,31H,5-6,11-12H2,(H,29,32).
What are the key properties of 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)morpholin-4-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118198926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).