N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

C27H30FN3O3 — CID 67267894

IUPACN-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(C)N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c(OC)c1
InChIInChI=1S/C27H30FN3O3/c1-18(24-9-8-23(33-2)16-26(24)34-3)31-13-11-22(12-14-31)30-27(32)20-7-10-25(29-17-20)19-5-4-6-21(28)15-19/h4-10,15-18,22H,11-14H2,1-3H3,(H,30,32)
InChIKeyWQEDCIJFFOPHCB-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.86
Rot. Bonds7

About N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide

N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (PubChem CID 67267894) has the molecular formula C27H30FN3O3 and a molecular weight of 463.55 g/mol. Its IUPAC name is N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
PubChem CID67267894
Molecular FormulaC27H30FN3O3
Molecular Weight463.55 g/mol
Exact Mass463.23
IUPAC NameN-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(C)N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c(OC)c1
InChIInChI=1S/C27H30FN3O3/c1-18(24-9-8-23(33-2)16-26(24)34-3)31-13-11-22(12-14-31)30-27(32)20-7-10-25(29-17-20)19-5-4-6-21(28)15-19/h4-10,15-18,22H,11-14H2,1-3H3,(H,30,32)
InChIKeyWQEDCIJFFOPHCB-UHFFFAOYSA-N
XLogP4.86
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(2,4-dimethoxyphenyl)ethyl]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-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide (CID 67267894) is N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is COc1ccc(C(C)N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c(OC)c1.
What is the InChIKey of N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is WQEDCIJFFOPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O3/c1-18(24-9-8-23(33-2)16-26(24)34-3)31-13-11-22(12-14-31)30-27(32)20-7-10-25(29-17-20)19-5-4-6-21(28)15-19/h4-10,15-18,22H,11-14H2,1-3H3,(H,30,32).
What are the key properties of N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide?
N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 67267894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).