N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

C22H23FN4OS — CID 93239140

About N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide

N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 93239140) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
• PubChem CID: 93239140
• Molecular Formula: C22H23FN4OS
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.16
• IUPAC Name: N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
• SMILES: O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1
• InChI: InChI=1S/C22H23FN4OS/c23-18-8-6-16(7-9-18)14-27-12-3-4-17(15-27)20(22-25-11-13-29-22)26-21(28)19-5-1-2-10-24-19/h1-2,5-11,13,17,20H,3-4,12,14-15H2,(H,26,28)/t17-,20+/m1/s1
• InChIKey: RCDGKTQNBFLVAZ-XLIONFOSSA-N
• XLogP: 4.06
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?

The IUPAC name of N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (CID 93239140) is N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is O=C(N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccn1.

What is the InChIKey of N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?

The InChIKey is RCDGKTQNBFLVAZ-XLIONFOSSA-N. The full InChI is InChI=1S/C22H23FN4OS/c23-18-8-6-16(7-9-18)14-27-12-3-4-17(15-27)20(22-25-11-13-29-22)26-21(28)19-5-1-2-10-24-19/h1-2,5-11,13,17,20H,3-4,12,14-15H2,(H,26,28)/t17-,20+/m1/s1.

What are the key properties of N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?

N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 93239140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).