N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C25H24F3N3O5 — CID 134609375

IUPACN-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOC1(c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cnc2OCCO)COC1
InChIInChI=1S/C25H24F3N3O5/c1-15-3-4-18(31-22(33)16-5-6-29-21(10-16)25(26,27)28)11-19(15)17-9-20(24(34-2)13-35-14-24)23(30-12-17)36-8-7-32/h3-6,9-12,32H,7-8,13-14H2,1-2H3,(H,31,33)
InChIKeyXQWHABXRIJEOOS-UHFFFAOYSA-N
MW503.48 g/mol
LogP3.97
Rot. Bonds8

About N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 134609375) has the molecular formula C25H24F3N3O5 and a molecular weight of 503.48 g/mol. Its IUPAC name is N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID134609375
Molecular FormulaC25H24F3N3O5
Molecular Weight503.48 g/mol
Exact Mass503.17
IUPAC NameN-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCOC1(c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cnc2OCCO)COC1
InChIInChI=1S/C25H24F3N3O5/c1-15-3-4-18(31-22(33)16-5-6-29-21(10-16)25(26,27)28)11-19(15)17-9-20(24(34-2)13-35-14-24)23(30-12-17)36-8-7-32/h3-6,9-12,32H,7-8,13-14H2,1-2H3,(H,31,33)
InChIKeyXQWHABXRIJEOOS-UHFFFAOYSA-N
XLogP3.97
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide 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 N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 134609375) is N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is COC1(c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4)ccc3C)cnc2OCCO)COC1.
What is the InChIKey of N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is XQWHABXRIJEOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O5/c1-15-3-4-18(31-22(33)16-5-6-29-21(10-16)25(26,27)28)11-19(15)17-9-20(24(34-2)13-35-14-24)23(30-12-17)36-8-7-32/h3-6,9-12,32H,7-8,13-14H2,1-2H3,(H,31,33).
What are the key properties of N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2-hydroxyethoxy)-5-(3-methoxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 134609375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).