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

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Related Compounds

Sonidegib
CID 24775005
Sonidegib Phosphate
CID 45138699
Vuf8504
CID 10247610
N-(2-methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide
CID 90408826
Jts-653
CID 23628017
3-amino-N-[4-(2-amino-6-methoxy-4-pyridinyl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68184638
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
N-[5-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90408582
N-[5-[6-[(3R,4S)-3-fluorooxan-4-yl]oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609669
N-[5-[6-(4-deuteriooxan-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118870913
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-N-pyridin-2-yl(18F)benzamide
CID 449647

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).