N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C26H28FN3O3 — CID 59744007

IUPACN-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCCOc1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccc1O
InChIInChI=1S/C26H28FN3O3/c1-2-33-25-14-18(6-9-24(25)31)17-30-12-10-22(11-13-30)29-26(32)20-7-8-23(28-16-20)19-4-3-5-21(27)15-19/h3-9,14-16,22,31H,2,10-13,17H2,1H3,(H,29,32)
InChIKeyLCXDOVUMUPOGHN-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.39
Rot. Bonds7

About N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 59744007) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID59744007
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC NameN-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCCOc1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccc1O
InChIInChI=1S/C26H28FN3O3/c1-2-33-25-14-18(6-9-24(25)31)17-30-12-10-22(11-13-30)29-26(32)20-7-8-23(28-16-20)19-4-3-5-21(27)15-19/h3-9,14-16,22,31H,2,10-13,17H2,1H3,(H,29,32)
InChIKeyLCXDOVUMUPOGHN-UHFFFAOYSA-N
XLogP4.39
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)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-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 59744007) is N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is CCOc1cc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)ccc1O.
What is the InChIKey of N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is LCXDOVUMUPOGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-2-33-25-14-18(6-9-24(25)31)17-30-12-10-22(11-13-30)29-26(32)20-7-8-23(28-16-20)19-4-3-5-21(27)15-19/h3-9,14-16,22,31H,2,10-13,17H2,1H3,(H,29,32).
What are the key properties of N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 59744007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).