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

C21H18F3N5O3 — CID 118198942

IUPAC6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOCC2)c(-c2cnccn2)c1
InChIInChI=1S/C21H18F3N5O3/c22-21(23,24)32-16-3-1-15(2-4-16)28-20(30)14-11-17(18-13-25-5-6-26-18)19(27-12-14)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2,(H,28,30)
InChIKeyRMJXXLRKZVBMSZ-UHFFFAOYSA-N
MW445.40 g/mol
LogP3.53
Rot. Bonds5

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

6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118198942) has the molecular formula C21H18F3N5O3 and a molecular weight of 445.40 g/mol. Its IUPAC name is 6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118198942
Molecular FormulaC21H18F3N5O3
Molecular Weight445.40 g/mol
Exact Mass445.14
IUPAC Name6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOCC2)c(-c2cnccn2)c1
InChIInChI=1S/C21H18F3N5O3/c22-21(23,24)32-16-3-1-15(2-4-16)28-20(30)14-11-17(18-13-25-5-6-26-18)19(27-12-14)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2,(H,28,30)
InChIKeyRMJXXLRKZVBMSZ-UHFFFAOYSA-N
XLogP3.53
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-morpholin-4-yl-5-pyrazin-2-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-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118198942) is 6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOCC2)c(-c2cnccn2)c1.
What is the InChIKey of 6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is RMJXXLRKZVBMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3/c22-21(23,24)32-16-3-1-15(2-4-16)28-20(30)14-11-17(18-13-25-5-6-26-18)19(27-12-14)29-7-9-31-10-8-29/h1-6,11-13H,7-10H2,(H,28,30).
What are the key properties of 6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-5-pyrazin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118198942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).