6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

C23H28FN3O2 — CID 67268179

IUPAC6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC2CCOCC2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H28FN3O2/c24-20-3-1-2-18(14-20)22-5-4-19(15-25-22)23(28)26-21-6-10-27(11-7-21)16-17-8-12-29-13-9-17/h1-5,14-15,17,21H,6-13,16H2,(H,26,28)
InChIKeyGNSIBUXEEXRZSW-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.51
Rot. Bonds5

About 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268179) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID67268179
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(CC2CCOCC2)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H28FN3O2/c24-20-3-1-2-18(14-20)22-5-4-19(15-25-22)23(28)26-21-6-10-27(11-7-21)16-17-8-12-29-13-9-17/h1-5,14-15,17,21H,6-13,16H2,(H,26,28)
InChIKeyGNSIBUXEEXRZSW-UHFFFAOYSA-N
XLogP3.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]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 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide (CID 67268179) is 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(CC2CCOCC2)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GNSIBUXEEXRZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c24-20-3-1-2-18(14-20)22-5-4-19(15-25-22)23(28)26-21-6-10-27(11-7-21)16-17-8-12-29-13-9-17/h1-5,14-15,17,21H,6-13,16H2,(H,26,28).
What are the key properties of 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).