N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C22H20F4N4O3 — CID 71460098

IUPACN-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCOc1ncc(-c2cccc(F)c2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C22H20F4N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
InChIKeyBVNSJFPYBJKGTL-UHFFFAOYSA-N
MW464.42 g/mol
LogP3.99
Rot. Bonds9

About N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 71460098) has the molecular formula C22H20F4N4O3 and a molecular weight of 464.42 g/mol. Its IUPAC name is N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID71460098
Molecular FormulaC22H20F4N4O3
Molecular Weight464.42 g/mol
Exact Mass464.15
IUPAC NameN-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCOc1ncc(-c2cccc(F)c2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C22H20F4N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
InChIKeyBVNSJFPYBJKGTL-UHFFFAOYSA-N
XLogP3.99
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-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-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 71460098) is N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is COc1ncc(-c2cccc(F)c2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1.
What is the InChIKey of N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is BVNSJFPYBJKGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31).
What are the key properties of N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 464.42 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoro-6-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71460098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).