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

C25H24F3N3O3 — CID 90408193

IUPACN-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C25H24F3N3O3/c1-16-6-7-20(30-23(32)17-4-3-5-19(12-17)25(26,27)28)14-21(16)18-13-22(24(33-2)29-15-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,30,32)
InChIKeyBHICALKRKYZBTH-UHFFFAOYSA-N
MW471.48 g/mol
LogP5.17
Rot. Bonds5

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

N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408193) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID90408193
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC NameN-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C25H24F3N3O3/c1-16-6-7-20(30-23(32)17-4-3-5-19(12-17)25(26,27)28)14-21(16)18-13-22(24(33-2)29-15-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,30,32)
InChIKeyBHICALKRKYZBTH-UHFFFAOYSA-N
XLogP5.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 90408193) is N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BHICALKRKYZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c1-16-6-7-20(30-23(32)17-4-3-5-19(12-17)25(26,27)28)14-21(16)18-13-22(24(33-2)29-15-18)31-8-10-34-11-9-31/h3-7,12-15H,8-11H2,1-2H3,(H,30,32).
What are the key properties of N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 471.48 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).