N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C25H24F3N3O4 — CID 134609500

IUPACN-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(O)CCOC1
InChIInChI=1S/C25H24F3N3O4/c1-3-35-23-21(24(33)7-8-34-14-24)10-17(12-30-23)20-11-19(13-29-15(20)2)31-22(32)16-5-4-6-18(9-16)25(26,27)28/h4-6,9-13,33H,3,7-8,14H2,1-2H3,(H,31,32)
InChIKeyACOPMFAFMFBCBV-UHFFFAOYSA-N
MW487.48 g/mol
LogP4.73
Rot. Bonds6

About N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 134609500) has the molecular formula C25H24F3N3O4 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID134609500
Molecular FormulaC25H24F3N3O4
Molecular Weight487.48 g/mol
Exact Mass487.17
IUPAC NameN-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(O)CCOC1
InChIInChI=1S/C25H24F3N3O4/c1-3-35-23-21(24(33)7-8-34-14-24)10-17(12-30-23)20-11-19(13-29-15(20)2)31-22(32)16-5-4-6-18(9-16)25(26,27)28/h4-6,9-13,33H,3,7-8,14H2,1-2H3,(H,31,32)
InChIKeyACOPMFAFMFBCBV-UHFFFAOYSA-N
XLogP4.73
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 134609500) is N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(O)CCOC1.
What is the InChIKey of N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ACOPMFAFMFBCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O4/c1-3-35-23-21(24(33)7-8-34-14-24)10-17(12-30-23)20-11-19(13-29-15(20)2)31-22(32)16-5-4-6-18(9-16)25(26,27)28/h4-6,9-13,33H,3,7-8,14H2,1-2H3,(H,31,32).
What are the key properties of N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 487.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-ethoxy-5-(3-hydroxyoxolan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 134609500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).