N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C23H22F3N3O3 — CID 71456402

IUPACN-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1-c1ccc(CO)nc1)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C23H22F3N3O3/c24-23(25,26)10-12-32-21-8-6-18(14-29-21)22(31)27-11-9-16-3-1-2-4-20(16)17-5-7-19(15-30)28-13-17/h1-8,13-14,30H,9-12,15H2,(H,27,31)
InChIKeyRIGAZWYFGSIWSB-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.94
Rot. Bonds9

About N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 71456402) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID71456402
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC NameN-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1-c1ccc(CO)nc1)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C23H22F3N3O3/c24-23(25,26)10-12-32-21-8-6-18(14-29-21)22(31)27-11-9-16-3-1-2-4-20(16)17-5-7-19(15-30)28-13-17/h1-8,13-14,30H,9-12,15H2,(H,27,31)
InChIKeyRIGAZWYFGSIWSB-UHFFFAOYSA-N
XLogP3.94
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]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-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 71456402) is N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is O=C(NCCc1ccccc1-c1ccc(CO)nc1)c1ccc(OCCC(F)(F)F)nc1.
What is the InChIKey of N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is RIGAZWYFGSIWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c24-23(25,26)10-12-32-21-8-6-18(14-29-21)22(31)27-11-9-16-3-1-2-4-20(16)17-5-7-19(15-30)28-13-17/h1-8,13-14,30H,9-12,15H2,(H,27,31).
What are the key properties of N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 445.44 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[6-(hydroxymethyl)-3-pyridinyl]phenyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71456402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).