4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H23F3N4O3 — CID 86297276

IUPAC4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N4O3/c1-15-19(16-5-6-28-22(12-16)31-7-9-34-10-8-31)13-18(14-29-15)30-23(32)17-3-4-21(33-2)20(11-17)24(25,26)27/h3-6,11-14H,7-10H2,1-2H3,(H,30,32)
InChIKeyICSXPPDQFDQGTE-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.57
Rot. Bonds5

About 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 86297276) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID86297276
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc1C(F)(F)F
InChIInChI=1S/C24H23F3N4O3/c1-15-19(16-5-6-28-22(12-16)31-7-9-34-10-8-31)13-18(14-29-15)30-23(32)17-3-4-21(33-2)20(11-17)24(25,26)27/h3-6,11-14H,7-10H2,1-2H3,(H,30,32)
InChIKeyICSXPPDQFDQGTE-UHFFFAOYSA-N
XLogP4.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide 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 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 86297276) is 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)Nc2cnc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ICSXPPDQFDQGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15-19(16-5-6-28-22(12-16)31-7-9-34-10-8-31)13-18(14-29-15)30-23(32)17-3-4-21(33-2)20(11-17)24(25,26)27/h3-6,11-14H,7-10H2,1-2H3,(H,30,32).
What are the key properties of 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 472.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86297276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).