6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide

C29H28FN5O2 — CID 67268693

About 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 67268693) has the molecular formula C29H28FN5O2 and a molecular weight of 497.57 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 67268693
• Molecular Formula: C29H28FN5O2
• Molecular Weight: 497.57 g/mol
• Exact Mass: 497.22
• IUPAC Name: 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCN(c2nccc(-c3ccccc3CCO)n2)CC1)c1ccc(-c2cccc(F)c2)nc1
• InChI: InChI=1S/C29H28FN5O2/c30-23-6-3-5-21(18-23)26-9-8-22(19-32-26)28(37)33-24-11-15-35(16-12-24)29-31-14-10-27(34-29)25-7-2-1-4-20(25)13-17-36/h1-10,14,18-19,24,36H,11-13,15-17H2,(H,33,37)
• InChIKey: LDZPSBINLXGXFL-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 91.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.57
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 67268693) is 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2nccc(-c3ccccc3CCO)n2)CC1)c1ccc(-c2cccc(F)c2)nc1.

What is the InChIKey of 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is LDZPSBINLXGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O2/c30-23-6-3-5-21(18-23)26-9-8-22(19-32-26)28(37)33-24-11-15-35(16-12-24)29-31-14-10-27(34-29)25-7-2-1-4-20(25)13-17-36/h1-10,14,18-19,24,36H,11-13,15-17H2,(H,33,37).

What are the key properties of 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide?

6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluorophenyl)-N-[1-[4-[2-(2-hydroxyethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67268693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).