N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C23H19F4N3O2 — CID 66814034

IUPACN-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2cccc(-c3ccncc3F)c2C1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C23H19F4N3O2/c24-20-12-28-9-8-18(20)17-3-1-2-14-4-6-16(10-19(14)17)30-22(31)15-5-7-21(29-11-15)32-13-23(25,26)27/h1-3,5,7-9,11-12,16H,4,6,10,13H2,(H,30,31)/t16-/m1/s1
InChIKeyPYZWCAPARPDLST-MRXNPFEDSA-N
MW445.42 g/mol
LogP4.51
Rot. Bonds5

About N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 66814034) has the molecular formula C23H19F4N3O2 and a molecular weight of 445.42 g/mol. Its IUPAC name is N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID66814034
Molecular FormulaC23H19F4N3O2
Molecular Weight445.42 g/mol
Exact Mass445.14
IUPAC NameN-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCc2cccc(-c3ccncc3F)c2C1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C23H19F4N3O2/c24-20-12-28-9-8-18(20)17-3-1-2-14-4-6-16(10-19(14)17)30-22(31)15-5-7-21(29-11-15)32-13-23(25,26)27/h1-3,5,7-9,11-12,16H,4,6,10,13H2,(H,30,31)/t16-/m1/s1
InChIKeyPYZWCAPARPDLST-MRXNPFEDSA-N
XLogP4.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)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-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 66814034) is N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(N[C@@H]1CCc2cccc(-c3ccncc3F)c2C1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PYZWCAPARPDLST-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H19F4N3O2/c24-20-12-28-9-8-18(20)17-3-1-2-14-4-6-16(10-19(14)17)30-22(31)15-5-7-21(29-11-15)32-13-23(25,26)27/h1-3,5,7-9,11-12,16H,4,6,10,13H2,(H,30,31)/t16-/m1/s1.
What are the key properties of N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 445.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-8-(3-fluoro-4-pyridinyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 66814034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).