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

C26H26F3N3O3 — CID 90442606

IUPACN-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C26H26F3N3O3/c1-3-35-25-23(32-9-11-34-12-10-32)14-19(16-30-25)22-15-21(8-7-17(22)2)31-24(33)18-5-4-6-20(13-18)26(27,28)29/h4-8,13-16H,3,9-12H2,1-2H3,(H,31,33)
InChIKeyLSEPPTJNAQFEES-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.56
Rot. Bonds6

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

N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90442606) has the molecular formula C26H26F3N3O3 and a molecular weight of 485.51 g/mol. Its IUPAC name is N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID90442606
Molecular FormulaC26H26F3N3O3
Molecular Weight485.51 g/mol
Exact Mass485.19
IUPAC NameN-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C26H26F3N3O3/c1-3-35-25-23(32-9-11-34-12-10-32)14-19(16-30-25)22-15-21(8-7-17(22)2)31-24(33)18-5-4-6-20(13-18)26(27,28)29/h4-8,13-16H,3,9-12H2,1-2H3,(H,31,33)
InChIKeyLSEPPTJNAQFEES-UHFFFAOYSA-N
XLogP5.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 90442606) is N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is CCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LSEPPTJNAQFEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3/c1-3-35-25-23(32-9-11-34-12-10-32)14-19(16-30-25)22-15-21(8-7-17(22)2)31-24(33)18-5-4-6-20(13-18)26(27,28)29/h4-8,13-16H,3,9-12H2,1-2H3,(H,31,33).
What are the key properties of N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 485.51 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90442606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).